Category: 612-13-5

Liu, Chunsheng published the artcileGreen synthesis process of fluorescent brightener ER, Category: nitriles-buliding-blocks, the publication is Ranliao Yu Ranse (2010), 47(5), 41-43, database is CAplus.

2-Cyanobenzyl chloride directly reacted with a slight excess of tri-Et phosphite by esterification reaction without adding other organic solvents, so the solvent recovery process was avoided. Using recrystallization mother liquor as the condensation reaction solvent, the process of solvent recovery was avoided also. The solvent loss and energy consumption were reduced by this process, and the yield of fluorescent brightener ER was increased by 10%. The green synthesis of fluorescent brightener ER was realized authentically.

Ranliao Yu Ranse published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C8H6ClN, Category: nitriles-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Kuang, Dai-Zhi published the artcileSynthesis and crystal structure of tetra(o-cyanobenzyl)tin, Product Details of C8H6ClN, the publication is Chinese Journal of Structural Chemistry (2008), 27(1), 35-38, database is CAplus.

The tetra(o-cyanobenzyl)tin compound was synthesized by the reaction of cyanobenzyl chloride with tin, and its mol. structure was characterized by elemental anal., IR spectra, ¹H NMR and X-ray diffraction. Crystal data for this compound: monoclinic, space group C2/c, M_r = 583.24, a = 1.9629(2), b = 1.05967(13), c = 1.41249(18) nm, β = 118.180(2)°, V = 2.5898(5) nm³, Z = 4, D_c = 1.496 g/cm³, μ(MoKα) = 1.015 cm^-1, F(000) = 1176, R = 0.0189, wR = 0.0497 (observed reflections with I > 2σ(I)) and R = 0.0218, wR = 0.0513 (all reflections). The mol. structure adopts a distorted tetrahedral geometry around the tin atom. The Sn…N weak interaction between the Sn and N atoms of cyano forms an intermol. H-bonding, and the bond length is 0.3570 nm; the interaction between hydrogen of methylene and benzene ring of benzyl forms C-H…C with its bond length of 0.2817 nm; and the interaction among hydrogen of benzene ring and carbon of cyano forms Ph-H…C bond (0.2897 nm) of the σ…π interaction. A 3D chain structure is formed by the above weak intermol. interactions.

Chinese Journal of Structural Chemistry published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C8H6ClN, Product Details of C8H6ClN.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Xiong, Yu-qing published the artcileSynthesis process of diethyl(o-cyanobenzyl)phosphonate, Safety of 2-(Chloromethyl)benzonitrile, the publication is Yingyong Huagong (2014), 43(11), 2012-2013, 2018, database is CAplus.

Aiming at pollution from o-cyanobenzyl chloride and benzene, a green synthesis process was provided by using o-cyanotoluene as starting mol., after photochlorination, o-cyanobenzyl chloride directly reacted with a slight excess of tri-Et phosphate by esterification reaction without adding other organic solvents. The results showed that the optimal technol. condition was chlorination at 140°C, 1.0 of chlorination degree, using incandescent light bulb, esterification at 155°C for 4 h. The critical factor was controlling chlorination degree under 1.0, combination of photochlorination and esterification, in order to reduce pollution to environment.

Yingyong Huagong published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C3H5F3O, Safety of 2-(Chloromethyl)benzonitrile.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Lei, Zhen-lin published the artcileSynthesis and antifungal activities of 7-ether coumarin derivatives, Application In Synthesis of 612-13-5, the publication is Huaxue Shiji (2016), 38(2), 157-162, database is CAplus.

7-Hydroxy 4,6-dimethyl-coumarin and 7-hydroxy-4,8-dimethyl-coumarin were synthesized by Peachmann condensation reaction, and then reacted with a substituted benzyl chloride to yield twenty-three new coumarin compounds The structures of all compounds were confirmed by ¹HNMR and LC-MS spectrometry. The preliminary bioassay indicated that compound 7-(4-fluoro-benzyloxy)-4,6-dimethyl-2H-benzopyran-2-one (3c), 4,6-dimethyl-7-(2-methyl-benzyloxy)-2H-pyran-2-one (3j), 7-(4-methoxy-benzyloxy)-4,6-dimethyl-2H-pyran-2-one (3k), 7-(4-fluoro-benzyloxy)-4,8-dimethyl-2H-pyran-2-one (3n) and 7-(4-methoxy-benzyloxy)-4,8-dimethyl-2H-pyran-2-one (3w) showed over 70% antifungal activities against Botryodiplodia theobromae at 100 mg/L, and compound 7-(3-chloro-benzyloxy)-4,8-dimethyl-2H-pyran-2-one (3p) showed broad-spectrum antifungal activity.

Huaxue Shiji published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C8H6ClN, Application In Synthesis of 612-13-5.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Xu, Han published the artcileSynthesis and herbicidal activities of novel 4-(3-trifluoromethylphenyl)-2H-pyridazin-3-one derivatives, HPLC of Formula: 612-13-5, the publication is Science China: Chemistry (2010), 53(1), 157-166, database is CAplus.

Three series of forty-nine novel 4-(3-trifluoromethylphenyl)-2H-pyridazin-3-one derivatives are designed, synthesized, and evaluated through a Spirodela polyrrhiza test and a greenhouse test. Some compounds show > 80% chlorophyll inhibition of Spirodela polyrrhiza at 10 μg/mL and exhibit some herbicidal activities against Digitaria adscendens in the preemergence treatment at a rate of 150 g/ha. Moreover, the study of the structure-activity relationship (SAR) suggests that the appropriate bulky substituent at the right position is critical for the bleaching and herbicidal activities, which may be useful for the future design of new compounds

Science China: Chemistry published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C8H10S, HPLC of Formula: 612-13-5.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Liu, Tao published the artcileDesign, Synthesis, and Biological Evaluation of Novel 4-Aminopiperidinyl-linked 3,5-Disubstituted-1,2,6-thiadiazine-1,1-dione Derivatives as HIV-1 NNRTIs, Safety of 2-(Chloromethyl)benzonitrile, the publication is Chemical Biology & Drug Design (2015), 86(1), 887-893, database is CAplus and MEDLINE.

A novel series of 4-aminopiperidinyl-linked 3,5-disubstituted-1,2,6-thiadiazine-1,1-dione derivatives I [R = 3-CN, 4-NO₂, 2,4,6-(CH₃)₃, etc.; Ar = 1-naphthyl, 2,4-dichlorophenyl] were designed, synthesized, and evaluated for their in vitro anti-HIV activities in MT-4 cells based on the hybridization of the privileged fragments in DABO and DAPY-typed HIV-1 NNRTIs. Most of the target compounds showed weak inhibitory activity against WT HIV-1. In order to confirm the mode of action of the target compounds, representative compounds I (R = 4-NO₂; Ar = 1-naphthyl) and I (R = 4-NO₂; Ar = 2,4-dichlorophenyl) were selected to perform the HIV-1 RT inhibitory assay. In this assay, I (R = 4-NO₂; Ar = 1-naphthyl) and I (R = 4-NO₂; Ar = 2,4-dichlorophenyl) displayed good activity with IC₅₀ values of 3.15 and 1.52 μM, resp. Addnl., preliminary structure-activity relationships (SARs) anal. and mol. docking studies of newly synthesized compounds were also discussed.

Chemical Biology & Drug Design published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C8H6ClN, Safety of 2-(Chloromethyl)benzonitrile.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Zhang, Wenjun published the artcileSynthesis of aryl acetamides by aminocarbonylation of benzylic chlorides using carbamoylsilane as an amide source, SDS of cas: 612-13-5, the publication is Synthetic Communications (2017), 47(7), 704-709, database is CAplus.

Using N-methyl-N-(1-phenyl)ethylcarbamoyl(trimethyl)silane as an amide source, the direct transformation of benzylic chlorides into the corresponding aryl acetamides through palladium-catalyzed aminocarbonylation is described. The electronic property and the relative position of substituents on the aromatic ring impact the coupling efficiency.

Synthetic Communications published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C5H5BrN2, SDS of cas: 612-13-5.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Deng, Lijuan published the artcileLigustrazine derivatives. Part 4: Design, synthesis, and biological evaluation of novel ligustrazine-based stilbene derivatives as potential cardiovascular agents, Synthetic Route of 612-13-5, the publication is Chemical Biology & Drug Design (2012), 79(5), 731-739, database is CAplus and MEDLINE.

A series of novel stilbene derivatives containing ligustrazinyl moiety was designed, synthesized, and assayed for their protective effects on damaged endothelial cells. The results showed that most ligustrazinyl stilbene derivatives exhibited high protective effects on the human umbilical vascular endothelial cells (HUVECs) damaged by hydrogen peroxide in comparison with Ligustrazine. Structure-activity relationships were briefly discussed.

Chemical Biology & Drug Design published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C8H6ClN, Synthetic Route of 612-13-5.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Wan, Jinlin published the artcileDesign, synthesis and anti-bacterial evaluation of novel 1,3,4-thiadiazole derivatives bearing a semicarbazone moiety, Application In Synthesis of 612-13-5, the publication is Phosphorus, Sulfur and Silicon and the Related Elements (2018), 193(7), 443-450, database is CAplus.

(Alkylthio)thiadiazolyl semicarbazones of 2-chloro-3-indolecarboxaldehyde I (R = R¹CH₂, Me, Et, n-Pr, Bu, BuCH₂; R¹ = Ph, 2-ClC₆H₄, 3-ClC₆H₄, 4-ClC₆H₄, 2-MeOC₆H₄, 3-MeOC₆H₄, 4-MeOC₆H₄, 2-MeC₆H₄, 3-MeC₆H₄, 4-MeC₆H₄, 2-FC₆H₄, 4-FC₆H₄, 2-NCC₆H₄, 2,4-Cl₂C₆H₃) were prepared as agrochem. antibacterial agents for treatment of rice bacterial leaf blight (Xanthomonas oryzae pv. oryzae, Xoo) and citrus canker (Xanthomonas axonopodis pv. citri, Xac). I were prepared in four steps from 5-amino-1,3,4-thiadiazole-2-thiol, benzyl chlorides or alkyl bromides, and 2-chloro-3-indolecarboxaldehyde (prepared in one step from oxindole). Many of the tested compounds exhibited excellent activity (≥74.19%) against Xoo at a concentration of 200 μg/mL, with 50% effective concentration (EC₅₀) values ranging from 12.21 to 67.20 μg/mL, superior to the com. antibacterial agent bismerthiazol (EC₅₀ = 92.23 μg/mL). I (R = 2-ClC₆H₄CH₂) demonstrated good inhibitory activity against Xac (89.46% at 200 μg/mL) and Xoo (EC₅₀ = 18.28 μg/mL), while I (R = 4-MeOC₆H₄CH₂) displayed excellent activity against Xoo with an EC₅₀ value of 12.21 μg/mL.

Phosphorus, Sulfur and Silicon and the Related Elements published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C15H14Cl2S2, Application In Synthesis of 612-13-5.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Visser, Michael S. published the artcileSynthesis and biological evaluation of novel hygromycin A antibacterial agents, Name: 2-(Chloromethyl)benzonitrile, the publication is Bioorganic & Medicinal Chemistry Letters (2010), 20(22), 6730-6734, database is CAplus and MEDLINE.

Novel hygromycin A derivatives, e.g. I, bearing a variety of functionalized aminocyclitol moieties have been synthesized in an effort to increase the antibacterial activity and drug-like properties of this class of agents. A systematic study of the effect of alkylation and removal of the hydroxyls of the aminocyclitol directed us to a series of alkylated aminocyclitol derivatives with improved Gram-pos. activity.

Bioorganic & Medicinal Chemistry Letters published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C5H6BNO2, Name: 2-(Chloromethyl)benzonitrile.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts