3-Bromo-2-methylbenzonitrile

Base Information

• Chemical Name: 3-Bromo-2-methylbenzonitrile
• CAS No.: 52780-15-1
• Molecular Formula: C8H6BrN
• Molecular Weight: 196.046
• Hs Code.: 2926909090
• Mol file: 52780-15-1.mol

Synonyms:3-BROMO-2-METHYLBENZONITRILE

Chemical Property of 3-Bromo-2-methylbenzonitrile

Chemical Property:

• Melting Point: 44-45 °C
• Refractive Index: 1.59
• Boiling Point: 247.546 °C at 760 mmHg
• Flash Point: 103.512 °C
• PSA: 23.79000
• Density: 1.51 g/cm³
• LogP: 2.62918
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Bromo-2-methylbenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Bromo-2-methylbenzonitrile

There total 9 articles about 3-Bromo-2-methylbenzonitrile 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: 92.0%

3-bromo-2-methylbenzamide (919363-09-0) + trifluoroacetic anhydride (407-25-0) → 3'-bromo-2'-methylbenzonitrile (52780-15-1)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; for 15h;

Reference yield: 90.0%

3-bromo-2-methylbenzamide (919363-09-0) → 3'-bromo-2'-methylbenzonitrile (52780-15-1)

Guidance literature:

With thionyl chloride; at 20 ℃;

DOI:10.1021/acs.oprd.0c00124

Reference yield: 69.0%

3-bromo-2-methylaniline (55289-36-6) + copper(l) cyanide → 3'-bromo-2'-methylbenzonitrile (52780-15-1)

Guidance literature:

3-bromo-2-methylaniline; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 0.5h;

copper(l) cyanide; With potassium cyanide; In water; at 60 - 110 ℃; for 0.5h;

upstream raw materials:

2,6-dibromotoluene

3-bromo-2-methylbenzamide

trifluoroacetic anhydride

3-bromo-2-methylbenzoic acid

Downstream raw materials:

3-bromo-2-methylbenzamide

3-bromo-2-methylbenzoic acid

2,3,2',3'-tetramethyl-bibenzyl

1-bromo-3-(bromomethyl)-2-methylbenzene

Refernces

• 1、 -. "PROCESSES FOR PREPARING AMINOPYRIMIDINE COMPOUNDS". Paragraph 0079. . Retrieved 2020/12/29.
• 2、 Zhang, Yong-Kang,Plattner, Jacob J.,Freund, Yvonne R.,Easom, Eric E.,Zhou, Yasheen,Gut, Jiri,Rosenthal, Philip J.,Waterson, David,Gamo, Francisco-Javier,Angulo-Barturen, Inigo,Ge, Min,Li, Zhiya,Li, Lingchao,Jian, Yong,Cui, Han,Wang, Hailong,Yang, Jian. "Synthesis and structure-activity relationships of novel benzoxaboroles as a new class of antimalarial agents". . p. 644 - 651. Retrieved 2011/03/18.