AKOS BH-2115

Base Information

• Chemical Name: AKOS BH-2115
• CAS No.: 157366-46-6
• Molecular Formula: C14H11N
• Molecular Weight: 193.248
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID90459048
• Nikkaji Number: J935.614B
• Wikidata: Q82282655
• Mol file: 157366-46-6.mol

Synonyms:[1,1'-Biphenyl]-2-carbonitrile, 2'-methyl-;

Chemical Property of AKOS BH-2115

Chemical Property:

• Boiling Point: 339.8 °C at 760 mmHg
• Flash Point: 160 °C
• PSA: 23.79000
• Density: 1.09 g/cm³
• LogP: 3.53368
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 193.089149355
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

2-(2-Methylphenyl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2=CC=CC=C2C#N

Technology Process of AKOS BH-2115

There total 21 articles about AKOS BH-2115 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: 99.0%

o-cyanobromobenzene (2042-37-7) + 2-Methylphenylboronic acid (16419-60-6) → 2-(o-Tolyl)benzonitrile (157366-46-6)

Guidance literature:

With sodium tetrachloropalladate(II); 5-[3-(4-carboxy-2,6-dimethylphenyl)-2-thioxoimidazolidin-1-yl]benzene-1,2,3-tricarboxylic acid; tetrabutylammomium bromide; potassium hydroxide; In water; at 20 ℃; for 48h; Sealed tube;

DOI:10.1055/s-0036-1589150

Reference yield: 99.0%

2-Chlorobenzonitrile (873-32-5) + 2-Methylphenylboronic acid (16419-60-6) → 2-(o-Tolyl)benzonitrile (157366-46-6)

Guidance literature:

With potassium fluoride; 18-crown-6 ether; bis-phenanthrylimidazolium chloride; palladium diacetate; In tetrahydrofuran; at 50 ℃; for 12h;

DOI:10.1016/j.tet.2005.05.071

Reference yield: 97.0%

o-cyanobromobenzene (2042-37-7) + CH3C6H4MnCl → 2-(o-Tolyl)benzonitrile (157366-46-6)

Guidance literature:

1,2-dimethoxyethane; bis(diphenylphosphino)propanepalladium(II) dichloride; In tetrahydrofuran; at 65 ℃; for 2h;

DOI:10.1016/S0022-328X(00)00891-3

upstream raw materials:

2-chloro-2'-methyl-1,1'-biphenyl

o-cyanobromobenzene

ortho-methylphenyl iodide

2-Chlorobenzonitrile

Downstream raw materials:

(2'-methylbiphenyl-2-yl)methanamine

2-methyl-3'-(p-tolyl)spiro[cyclohexa[2,5]diene-1,1'-isoindol]-4-one

9-Aminophenanthrene

Refernces

• 1、 Chen, Wei,Lu, Xiao-Yan,Xu, Bei-Hua,Yu, Wei-Guo,Zhou, Zi-Niu,Hu, Ying. "The Rational Design and Synthesis of Water-Soluble Thiourea Ligands for Recoverable Pd-Catalyzed Aerobic Aqueous Suzuki-Miyaura Reactions at Room Temperature". . p. 1499 - 1510. Retrieved 2018/01/17.
• 2、 Yan, Zhong,Xie, Huan-Ping,Shen, Hong-Qiang,Zhou, Yong-Gui. "Ruthenium-catalyzed hydrogenation of carbocyclic aromatic amines: Access to chiral exocyclic amines". supporting information. p. 1094 - 1097. Retrieved 2018/02/23.