2-(4-Bromo-2-nitrophenyl)acetonitrile

Base Information

• Chemical Name: 2-(4-Bromo-2-nitrophenyl)acetonitrile
• CAS No.: 105003-96-1
• Molecular Formula: C8H5BrN2O2
• Molecular Weight: 241.044
• Hs Code.: 2926907090
• Mol file: 105003-96-1.mol

Synonyms:2-(4-Bromo-2-nitrophenyl)acetonitrile

Chemical Property of 2-(4-Bromo-2-nitrophenyl)acetonitrile

Chemical Property:

• PSA: 69.61000
• LogP: 2.94658

Purity/Quality:

95% ^*data from raw suppliers

2-(4-Bromo-2-nitrophenyl)acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(4-Bromo-2-nitrophenyl)acetonitrile

There total 6 articles about 2-(4-Bromo-2-nitrophenyl)acetonitrile 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:

1,4-dibromo-2-nitrobenzene (3460-18-2) + ethyl 2-cyanoacetate (105-56-6) → (4-bromo-2-nitro)phenylacetonitrile (105003-96-1)

Guidance literature:

1,4-dibromo-2-nitrobenzene; ethyl 2-cyanoacetate; With sodium hydride; In dimethyl sulfoxide; at 90 ℃; for 3h;

With sodium hydrogencarbonate; In water; at 80 ℃; for 24h;

Reference yield:

ethyl 2-(4-bromo-2-nitrophenyl)-2-cyanoacetate → (4-bromo-2-nitro)phenylacetonitrile (105003-96-1)

Guidance literature:

With hydrogenchloride; In ethanol; for 6h; Yield given; Heating;

DOI:10.1021/ja961837q

Reference yield:

1,4-dibromo-2-nitrobenzene (3460-18-2) → (4-bromo-2-nitro)phenylacetonitrile (105003-96-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaOEt / 1.) EtOH, 2.) EtOH, reflux, 12 h

2: HCl / ethanol / 6 h / Heating

With hydrogenchloride; sodium ethanolate; In ethanol;

DOI:10.1021/ja961837q

upstream raw materials:

S-(Dimethylthiocarbamoyl)thioglycolonitrile

m-nitrobromobenzene

phenoxyacetonitrile

chloroacetonitrile

Downstream raw materials:

6-bromo-1H-indazole-3-carbonitrile

Refernces

• 1、 Bernasconi, Claude F.,Wenzel, Philip J.. "Kinetics of proton transfer from 2-nitro-4-X-phenylacetonitriles to piperidine and morpholine in aqueous Me2SO. Solvent and substituent effects on intrinsic rate constants. Transition state imbalances". . p. 11446 - 11453. Retrieved 2007/10/03.