Benzonitrile, 3-(diphenylphosphino)-

Base Information

• Chemical Name: Benzonitrile, 3-(diphenylphosphino)-
• CAS No.: 14378-89-3
• Molecular Formula: C19H14NP
• Molecular Weight: 287.301
• DSSTox Substance ID: DTXSID00473659
• Nikkaji Number: J1.945.487H
• Mol file: 14378-89-3.mol

Synonyms:Benzonitrile, 3-(diphenylphosphino)-;14378-89-3;3-diphenylphosphanylbenzonitrile;m-cyanophenyldiphenylphosphine;DTXSID00473659

Chemical Property of Benzonitrile, 3-(diphenylphosphino)-

Chemical Property:

• PSA: 37.38000
• LogP: 3.31648
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 287.086386449
• Heavy Atom Count: 21
• Complexity: 341

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC(=C3)C#N

Technology Process of Benzonitrile, 3-(diphenylphosphino)-

There total 7 articles about Benzonitrile, 3-(diphenylphosphino)- 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: 97.0%

m-Fluorobenzonitrile (403-54-3) + (trimethylsilyl)diphenylphosphine (17154-34-6) → 3-(diphenylphosphanyl)benzonitrile (14378-89-3)

Guidance literature:

With cesium fluoride; In N,N-dimethyl-formamide; at 20 ℃; for 0.333333h; Inert atmosphere;

DOI:10.1039/c1nj20448c

Reference yield: 82.0%

m-Fluorobenzonitrile (403-54-3) + diphenylphosphane (829-85-6) → 3-(diphenylphosphanyl)benzonitrile (14378-89-3)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 20 ℃; for 0.166667h;

DOI:10.1002/(SICI)1099-0682(199801)1998:1<73::AID-EJIC73>3.0.CO;2-M

Reference yield: 73.0%

3-cyanobromobenzene (6952-59-6) + chloro-diphenylphosphine (1079-66-9,74391-44-9) → 3-(diphenylphosphanyl)benzonitrile (14378-89-3)

Guidance literature:

With bis(bipyridine)nickel(II) bromide; zinc; In 1-methyl-pyrrolidin-2-one; at 110 ℃; for 1.25h;

DOI:10.1016/S0040-4020(03)01180-3

upstream raw materials:

3-cyanobromobenzene

chloro-diphenylphosphine

m-Fluorobenzonitrile

diphenylphosphane

Downstream raw materials:

(S)-2-(3-(diphenylphosphino)phenyl)-4-isopropyl-4,5-dihydrooxazole

C₃₈H₃₀Cl₂O₄P₂Pd

3-(diphenylphosphino)benzoic acid