Ethyl 3-broMo-4-cyanobenzoate

Base Information

• Chemical Name: Ethyl 3-broMo-4-cyanobenzoate
• CAS No.: 362527-61-5
• Molecular Formula: C10H8BrNO2
• Molecular Weight: 254.083
• Hs Code.: 2926909090
• Mol file: 362527-61-5.mol

Synonyms:Benzoic acid, 3-bromo-4-cyano-, ethyl ester

Chemical Property of Ethyl 3-broMo-4-cyanobenzoate

Chemical Property:

• Boiling Point: 360.628 °C at 760 mmHg
• Flash Point: 171.902 °C
• PSA: 50.09000
• Density: 1.534 g/cm³
• LogP: 2.49748
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

Ethyl3-bromo-4-cyanobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Ethyl 3-broMo-4-cyanobenzoate

There total 4 articles about Ethyl 3-broMo-4-cyanobenzoate 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: 76.0%

ethyl 3-bromo-4-aminobenzoate (7149-03-3) → ethyl 3-bromo-4-cyanobenzoate (362527-61-5)

Guidance literature:

ethyl 3-bromo-4-aminobenzoate; With tert.-butylnitrite; boron trifluoride diethyl etherate; In dichloromethane; at -10 - 20 ℃; for 4h;

With sodium cyanide; copper(I) cyanide; In toluene; at 0 - 60 ℃; for 1.5h;

Reference yield: 48.0%

ethyl 3-bromo-4-aminobenzoate (7149-03-3) + copper(I) cyanide (544-92-3) → ethyl 3-bromo-4-cyanobenzoate (362527-61-5)

Guidance literature:

ethyl 3-bromo-4-aminobenzoate; With tert.-butylnitrite; boron trifluoride diethyl etherate; In dichloromethane;

copper(I) cyanide; With sodium cyanide; In water; toluene;

DOI:10.1016/j.bmcl.2004.10.014

Reference yield:

p-aminoethylbenzoate (94-09-7) → ethyl 3-bromo-4-cyanobenzoate (362527-61-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 38 percent / Br₂; pyridine / CH₂Cl₂ / 24 h / -10 - 20 °C

2.1: BF₃*Et₂O; t-BuONO / CH₂Cl₂

2.2: 48 percent / NaCN / toluene; H₂O

With pyridine; tert.-butylnitrite; boron trifluoride diethyl etherate; bromine; In dichloromethane;

DOI:10.1016/j.bmcl.2004.10.014

upstream raw materials:

ethyl 3-bromo-4-aminobenzoate

copper(I) cyanide

p-aminoethylbenzoate

Downstream raw materials:

2-bromo-4-formylbenzonitrile

Refernces

• 1、 -. "Amino-5,5-diphenylimidazolone derivatives for the inhibition of beta-secretase". Page/Page column 8. . Retrieved 2008/06/13.