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

InChIKey

QGXNHCXKWFNKCG-UHFFFAOYSA-N

CAS DataBase Reference

22115-41-9(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

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

2-Cyanobenzyl bromide Usage And Synthesis

Description

2-(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 Properties

White to light yellow crystal powder

Uses

2-(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 Description

2-(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 Methods

Purify 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(22115-41-9)Related Product Information

• Sodium cyanoborohydride
• Benzonitrile
• Sodium bromate
• Methylene dithiocyanate
• Allyl bromide
• Ethidium bromide
• Ethyl N-cyanoethanimideate
• Benzyl bromide
• Rocuronium bromide
• Diethylstilbestrol
• ETHYL 2-CYANOACRYLATE
• α-Bromocinnamaldehyde
• 2-CYANO-4-FLUOROBENZYL BROMIDE
• Benzeneacetonitrile
• 4-Nitrobenzyl bromide
• 2-cyano-5-fluorobenzylbroMide
• Bromine
• Methyl bromide