Benzonitrile, 2-[5-[(2-butyl-1H-benzimidazol-1-yl)methyl]-2-thienyl]-

Base Information

Chemical Name:Benzonitrile, 2-[5-[(2-butyl-1H-benzimidazol-1-yl)methyl]-2-thienyl]-
CAS No.:194417-13-5
Molecular Formula:C23H21N3S
Molecular Weight:371.506
Hs Code.:
DSSTox Substance ID:DTXSID80441255
Nikkaji Number:J848.644A
Wikidata:Q82257948

Synonyms:Benzonitrile, 2-[5-[(2-butyl-1H-benzimidazol-1-yl)methyl]-2-thienyl]-;194417-13-5;DTXSID80441255;2-[5-[(2-Butyl-1H-benzimidazol-1-yl)methyl]-2-thienyl]benzonitrile

Suppliers and Price of Benzonitrile, 2-[5-[(2-butyl-1H-benzimidazol-1-yl)methyl]-2-thienyl]-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of Benzonitrile, 2-[5-[(2-butyl-1H-benzimidazol-1-yl)methyl]-2-thienyl]-

Chemical Property:

XLogP3:5.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:371.14561886
Heavy Atom Count:27
Complexity:529

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC1=NC2=CC=CC=C2N1CC3=CC=C(S3)C4=CC=CC=C4C#N

Technology Process of Benzonitrile, 2-[5-[(2-butyl-1H-benzimidazol-1-yl)methyl]-2-thienyl]-

There total 5 articles about Benzonitrile, 2-[5-[(2-butyl-1H-benzimidazol-1-yl)methyl]-2-thienyl]- 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: 85.0%

: 5851-44-5
2-n-butylbenzimidazole

: 194416-96-1
2-(5'-Chloromethyl-2'-thienyl)benzonitrile

: 194417-13-5
2-[5-(2-Butyl-benzoimidazol-1-ylmethyl)-thiophen-2-yl]-benzonitrile

Guidance literature:: With potassium hydroxide; potassium carbonate; BBDECl; In acetonitrile; for 40h; Ambient temperature;

Reference yield:

: 2042-37-7
o-cyanobromobenzene

: 194417-13-5
2-[5-(2-Butyl-benzoimidazol-1-ylmethyl)-thiophen-2-yl]-benzonitrile

Guidance literature:: Multi-step reaction with 5 steps

1: 1.) N,N,N',N'-tetramethylethylene diamine, n-BuLi; n-Bu₃SnCl, 2.) PdCl₂(PPh₃)2 / 1.) Et₂O, reflux, 1 h; Et₂O, -70 deg C, 4 h, 2.) THF, reflux, 70 h

2: 58 percent / POCl₃ / 18 h / 90 °C

3: 96 percent / NaBH₄ / methanol; CH₂Cl₂ / 18 h / Ambient temperature

4: 98 percent / SOCl₂, Et₃N / CH₂Cl₂ / 1.) r.t., 1 h, 2.) 40 deg C, 0.5 h

5: 85 percent / K₂CO₃, KOH / BBDECl / acetonitrile / 40 h / Ambient temperature

With bis-triphenylphosphine-palladium(II) chloride; potassium hydroxide; sodium tetrahydroborate; n-butyllithium; thionyl chloride; N,N,N,N,-tetramethylethylenediamine; tributyltin chloride; potassium carbonate; triethylamine; trichlorophosphate; BBDECl; In methanol; dichloromethane; acetonitrile;

Reference yield:

: 125610-77-7
1-cyano-2-(1-thiophenyl)-benzene

: 194417-13-5
2-[5-(2-Butyl-benzoimidazol-1-ylmethyl)-thiophen-2-yl]-benzonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: 58 percent / POCl₃ / 18 h / 90 °C

2: 96 percent / NaBH₄ / methanol; CH₂Cl₂ / 18 h / Ambient temperature

3: 98 percent / SOCl₂, Et₃N / CH₂Cl₂ / 1.) r.t., 1 h, 2.) 40 deg C, 0.5 h

4: 85 percent / K₂CO₃, KOH / BBDECl / acetonitrile / 40 h / Ambient temperature

With potassium hydroxide; sodium tetrahydroborate; thionyl chloride; potassium carbonate; triethylamine; trichlorophosphate; BBDECl; In methanol; dichloromethane; acetonitrile;