4'-Bromomethyl-2-cyanobiphenyl

Base Information

• Chemical Name: 4'-Bromomethyl-2-cyanobiphenyl
• CAS No.: 114772-54-2
• Molecular Formula: C14H10BrN
• Molecular Weight: 272.144
• Hs Code.: 29269090
• European Community (EC) Number: 425-280-5,601-327-7
• UNII: UI5JR3K10F
• DSSTox Substance ID: DTXSID30363559
• Nikkaji Number: J1.637.709K
• Wikidata: Q72446981
• Mol file: 114772-54-2.mol

Synonyms:114772-54-2;4'-Bromomethyl-2-cyanobiphenyl;2-[4-(bromomethyl)phenyl]benzonitrile;4'-(bromomethyl)-[1,1'-biphenyl]-2-carbonitrile;2-Cyano-4'-bromomethylbiphenyl;2-(4-Bromo-methylphenyl) benzonitrile;4'-Bromomethyl-2-biphenylcarbonitrile;2'-Cyano-4-bromomethylbiphenyl;4'-(Bromomethyl)-2-cyanobiphenyl;4'-Bromomethylbiphenyl-2-carbonitrile;2-(4-bromomethylphenyl)benzonitrile;(Bromomethylphenyl-4')-2 benzonitrile;UI5JR3K10F;2'-CYANO-4-BROMOMETHYL BIPHENYL;[1,1'-Biphenyl]-2-carbonitrile, 4'-(bromomethyl)-;4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile;4-(bromomethyl)-2'-cyanobiphenyl;4'-(bromomethyl)biphenyl-2-carbonitrile;4'-(bromomethyl)-biphenyl-2-carbonitrile;4'-BROMOMETHYL-BIPHENYL-2-CARBONITRILE;EC 601-327-7;4-(2-Cyanophenyl)benzyl bromide;4'-(bromomethyl)(1,1'-biphenyl)-2-carbonitrile;4'-(bromomethyl)[1,1'-biphenyl]-2-carbonitrile;(1,1'-BIPHENYL)-2-CARBONITRILE, 4'-(BROMOMETHYL)-;4-Bromomethyl-2'-cyanobiphenyl;BMCB;Sartan Bromo biphenyl;SCHEMBL357;UNII-UI5JR3K10F;4-Bromomethyl-2-cyanophenyl;4'-bromo methyl-2-cyanobiphenyl;4'-bromomethyl-2-cyano biphenyl;4'-bromomethyl-2-cyano-biphenyl;4-bromomethyl-2'-cyano-biphenyl;LFFIEVAMVPCZNA-UHFFFAOYSA-;DTXSID30363559;2-cyano-4'-(bromomethyl)biphenyl;4 -(2-cyanophenyl)benzyl bromide;4'-bromo methyl-2-cyano biphenyl;BCP04511;4/'-(Bromomethyl)-2-cyanobiphenyl;CX1154;MFCD00671503;AKOS009116156;(2'-cyanobiphenyl-4-yl)methyl bromide;2'-(cyano)biphenyl-4-yl-methylbromide;2'-(Cyano)biphenyl-4-ylmethyl bromide;AC-6862;CS-O-08255;CS-W002659;4-bromomethyl-2'-cyano-1,1'-biphenyl;4'-Bromomethyl-1,1'-biphenyl-2-nitrile;AS-11904;2-(4'-BROMOMETHYLPHENYL)BENZONITRILE;4'-Bromomethyl-2-biphenylcarbonitrile, 97%;AM20060853;B1806;FT-0616705;FT-0657182;4'-bromomethyl-1,1' biphenyl-2-carbonitrile;EN300-26985;EC 425-280-5;4'-(bromomethyl) [1,1'-biphenyl]-2-carbonitrile;J-003132;J-513655

Chemical Property of 4'-Bromomethyl-2-cyanobiphenyl

Chemical Property:

• Appearance/Colour: Cream powder
• Vapor Pressure: 0.1-0.2Pa at 20-25℃
• Melting Point: 125-128 °C(lit.)
• Boiling Point: 413.2°Cat760mmHg
• Flash Point: 203.7°C
• PSA: 23.79000
• Density: 1.43 g/cm³
• LogP: 4.12018
• Storage Temp.: Refrigerator
• Water Solubility.: Insoluble in water
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 270.99966
• Heavy Atom Count: 16
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

4’-Bromomethyl-2-cyanobiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xi,Xn,N
• Statements: 20/21/22-36/37/38-50/53-43
• Safety Statements: 26-36/37-36/37/39-61-60

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CBr
• Uses: 4-Bromomethyl-2-cyanobiphenyl used in protein-binding studies of quinoxaline angiotensin II receptor antagonists.

Technology Process of 4'-Bromomethyl-2-cyanobiphenyl

There total 33 articles about 4'-Bromomethyl-2-cyanobiphenyl which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.3%

2-Cyano-4'-methylbiphenyl (114772-53-1) → 4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile (114772-54-2)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane;

DOI:10.1016/j.bmc.2013.01.067

Reference yield: 94.0%

2-cyano-4-methylbiphenyl (64113-85-5) → 4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile (114772-54-2)

Guidance literature:

With 5,5-dibromohydantoin; In dichloromethane; at 50 ℃; for 0.5h; Temperature; Reagent/catalyst; Irradiation;

Reference yield: 89.4%

2-Cyano-4'-methylbiphenyl (114772-53-1) + 1,2-dichloro-ethane (107-06-2,52399-93-6) + 2,2'-azobis-(4-methoxy-2,4-dimethylvaleronitrile) → 4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile (114772-54-2)

Guidance literature:

With bromine; In water;

upstream raw materials:

2-Cyano-4'-methylbiphenyl

2-cyanobenzoic acid

ammonium 2-(aminocarbonyl)benzoate

2-(2-methoxyphenyl)-4,4-dimethyl-2-oxazoline

Downstream raw materials:

methyl 2-amino>-3-nitrobenzoate

4'-(2-Butyl-5-chloro-benzoimidazol-1-ylmethyl)-biphenyl-2-carbonitrile

4'-(2-n-butyl-3H-imidazo<4,5-b>pyridin-3-ylmethyl)biphenyl-2-carbonitrile

4'-(2-n-butyl-1H-imidazo<4,5-b>pyridin-1-ylmethyl)biphenyl-2-carbonitrile

Refernces

• 1、 Malani, Mahesh H.,Dholakiya, Bharat Z.. "Synthesis, characterization and in vitro screening on bacterial, fungal and malarial strain of piprazinyl cyano biphenyl based compounds". . p. 16 - 23. Retrieved 2013.
• 2、 Beutler, Ulrich,Boehm, Matthias,Fuenfschilling, Peter C.,Heinz, Thomas,Mutz, Jean-Paul,Onken, Ulrich,Mueller, Martin,Zaugg, Werner. "A high-throughput process for valsartan". . p. 892 - 898. Retrieved 2007.
• 3、 Blacker, A. John,Francis, Daniel,Kapur, Nikil,Marsden, Stephen P.. "Readily Reconfigurable Continuous-Stirred Tank Photochemical Reactor Platform". supporting information. . Retrieved 2022/01/12.
• 4、 -. "Preparation method of bromo-sartan biphenyl based on hydrogen peroxide-hydrobromic acid system". Paragraph 0036-0056. . Retrieved 2020/07/15.