4-BENZYLBENZONITRILE

Base Information

• Chemical Name: 4-BENZYLBENZONITRILE
• CAS No.: 23450-31-9
• Molecular Formula: C14H11 N
• Molecular Weight: 193.248
• Hs Code.: 2926909090
• Mol file: 23450-31-9.mol

Synonyms:p-Tolunitrile,a-phenyl- (7CI,8CI);4-Benzylbenzonitrile; p-Benzylbenzonitrile

Chemical Property of 4-BENZYLBENZONITRILE

Chemical Property:

• Vapor Pressure: 0.000124mmHg at 25°C
• Boiling Point: 334.9°Cat760mmHg
• Flash Point: 157°C
• PSA: 23.79000
• Density: 1.09g/cm³
• LogP: 3.14908

Purity/Quality:

97% ^*data from raw suppliers

4-Benzylbenzonitrile 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-BENZYLBENZONITRILE

There total 102 articles about 4-BENZYLBENZONITRILE 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%

4-cyanobenzyl chloride (874-86-2) + phenylboronic acid (98-80-6) → 4-benzylbenzonitrile (23450-31-9)

Guidance literature:

With potassium phosphate; triphenylphosphine; palladium diacetate; In toluene; for 19h;

DOI:10.1016/j.tetlet.2004.09.020

Reference yield: 98.0%

tributylphenylstannane (960-16-7) + 4-cyanobenzyl bromide (17201-43-3) → 4-benzylbenzonitrile (23450-31-9)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; potassium fluoride; palladium diacetate; In 1,4-dioxane; at 80 ℃; for 3h;

DOI:10.1016/j.tetlet.2007.08.072

Reference yield: 97.0%

4-bromobenzenecarbonitrile (623-00-7) + potassium benzyltrifluoroborate → 4-benzylbenzonitrile (23450-31-9)

Guidance literature:

With 2,6-dimethylpyridine; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; bis[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridyl]phenyl]iridium⁽¹⁺⁾; 2-(2-pyridyl)pyridine; hexafluorophosphate; 4,4'-di-tert-butyl-2,2'-bipyridine; In methanol; acetone; at 20 ℃; for 24h; Irradiation;

DOI:10.1126/science.1253647

upstream raw materials:

4-benzyl-benzamide

4-cyanobenzyl chloride

benzene

terephthalonitrile

Downstream raw materials:

p-cyanobenzophenone

1-(bis(4-iodophenyl)methyl)-1H-1,2,4-triazole

C₂₁H₁₆N₂O

Refernces

• 1、 Lee, Shao-Chi,Li, Li-Yun,Tsai, Zong-Nan,Lee, Yi-Hsin,Tsao, Yong-Ting,Huang, Pin-Gong,Cheng, Cheng-Ku,Lin, Heng-Bo,Chen, Ting-Wei,Yang, Chung-Hsin,Chiu, Cheng-Chau,Liao, Hsuan-Hung. "Aromatization as an Impetus to Harness Ketones for Metallaphotoredox-Catalyzed Benzoylation/Benzylation of (Hetero)arenes". . p. 85 - 89. Retrieved 2022/01/04.
• 2、 Wang, Wei,Yao, Ken,Wu, Fan. "Nickel-Catalyzed Reductive Cross-Coupling of Benzylic Sulfonium Salts with Aryl Iodides". supporting information. p. 361 - 366. Retrieved 2022/03/07.