ChemicalBook Product Catalog Pharmaceutical intermediates Bulk Drug Intermediates 2-Cyanobenzyl bromide

2-Cyanobenzyl bromide

2-Cyanobenzyl bromide Basic information
Product Name:2-Cyanobenzyl bromide
Synonyms:Adjacent cyano benzyl broMide;O-CYANOBENZYL BROMIDE;ALPHA-BROMO-O-TOLUNITRILE;ALPHA-BROMO-O-TOLUONITRILE;AKOS 92624;AKOS BBS-00000052;A-BROMO-O-TOLUNITRILE;alpha-bromo-ortho-tolunitrile
CAS:22115-41-9
MF:C8H6BrN
MW:196.04
EINECS:628-473-4
Product Categories:cyanide| alkyl bromide;22115-41-9
Mol File:22115-41-9.mol
2-Cyanobenzyl bromide Structure
2-Cyanobenzyl bromide Chemical Properties
Melting point 72-74 °C(lit.)
Boiling point 111 °C / 1.5mmHg
density 1.5466 (rough estimate)
refractive index 1.6550 (estimate)
storage temp. Keep in dark place,Sealed in dry,Room Temperature
Water Solubility Slightly soluble in water
solubility Chloroform (Slightly), Ethyl Acetate (Slightly)
form Crystalline Powder or Chunks
color White to gray-brown
BRN 742605
InChIKeyQGXNHCXKWFNKCG-UHFFFAOYSA-N
CAS DataBase Reference22115-41-9(CAS DataBase Reference)
Safety Information
Hazard Codes C
Risk Statements 34
Safety Statements 26-36/37/39-45-28A
RIDADR UN 3261 8/PG 2
WGK Germany 3
F 10-19-21
Hazard Note Corrosive
HazardClass 8
PackingGroup II
HS Code 29269090
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
2-Cyanobenzyl bromide Usage And Synthesis
Description2-(Bromomethyl)benzonitrile reacts with 2H-tetrazole in the presence of KOH to yield 4-[(2H-tetra-zol-2-yl)meth-yl]benzonitrile. It undergoes base-promoted condensation reaction with homophthalic anhydride to yield 6,11-dihydro-5H-indeno[1,2-c]isoquinolin-5-one.
Chemical PropertiesWhite to light yellow crystal powder
Uses2-(Bromomethyl)benzonitrile is an intermediate in the synthesis of Alogliptin, an oral antihyperglycemic agent that is a selective inhibitor of the enzyme dipeptidyl peptidase-4 (DPP-4). Antidiabetic agent.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package.
General Description2-(Bromomethyl)benzonitrile reacts with 2H-tetrazole in the presence of KOH to yield 4-[(2H-tetra-zol-2-yl)meth-yl]benzonitrile. It undergoes base-promoted condensation reaction with homophthalic anhydride to yield 6,11-dihydro-5H-indeno[1,2-c]isoquinolin-5-one.
Purification MethodsPurify the nitrile by steam distillation. Extract the distillate with Et2O, dry the extract (Na2SO4), evaporate and distil the residue. The solidified distillate can be recrystallised from pet ether or cyclohexane. NMR (CDCl3) : 7.8-7.2 (m 4H), 4.62 (s, 2H), IR max 2238 cm1 . [Drory Chem Ber 24 2570 1891, Borsche et al. Chem Ber 74 685 1934, Buckley et al. Aust J Chem 22 594 1969, Beilstein 9 III 2312.] LACHRYMATORY.
2-Cyanobenzyl bromide Preparation Products And Raw materials
Preparation Products2-[(6-Chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2h)-pyriMidinyl)Methyl]benzonitrile-->2-[(6-CHLORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)METHYL]BENZONITRILE-->2-(Hydroxymethyl)benzonitrile-->Dibenzo[b,e]thiepin-11(6H)-one-->2,3-dihydro-1-oxo-1H-indene-4-carbonitrile-->2-[(2-formylpyrrol-1-yl)methyl]benzonitrile-->N-[2-(AMINOMETHYL)BENZYL]-N,N-DIETHYLAMINE-->2-Cyanobenzyl acetate-->2-(4-HYDROXY-PIPERIDIN-1-YLMETHYL)-BENZONITRILE
2-CYANO-4-FLUOROBENZYL BROMIDE 2-(BROMOMETHYL)-5-CHLOROBENZONITRILE Rocuronium bromide 2-(BROMOMETHYL)-5-NITROBENZONITRILE 2-Cyanobenzyl bromide METHYL 2-BROMO-2-(2-CYANOPHENYL)ACETATE 4-Nitrobenzyl bromide 4-Bromo-2-cyanobenzyl bromide Sodium bromate Benzeneacetonitrile Methylene dithiocyanate Benzyl bromide Ethidium bromide Benzonitrile Allyl bromide Ethyl N-cyanoethanimideate Sodium cyanoborohydride Methyl bromide
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