[1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutoxy]-

Base Information

Chemical Name:[1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutoxy]-
CAS No.:58600-86-5
Molecular Formula:C18H19 N O
Molecular Weight:265.355
Hs Code.:
European Community (EC) Number:261-360-4
DSSTox Substance ID:DTXSID90886279
Nikkaji Number:J497.304F
Wikidata:Q82865062
Mol file:58600-86-5.mol

Synonyms:58600-86-5;(S)-(+)-4'-(2-Methylbutoxy)-4-biphenylcarbonitrile;4-[4-[(2S)-2-methylbutoxy]phenyl]benzonitrile;[1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutoxy]-;(1,1'-Biphenyl)-4-carbonitrile, 4'-((2S)-2-methylbutoxy)-;EINECS 261-360-4;4-Cyano-4'-(2-methylbut-1-oxy)biphenyl;(+)-4'-(2-methylbutoxy)[1,1'-biphenyl]-4-carbonitrile;SCHEMBL9146899;DTXSID90886279;AKOS015889244;4'-[(S)-2-Methylbutoxy]biphenyl-4-carbonitrile;[1,1'-Biphenyl]-4-carbonitrile, 4'-(2-methylbutoxy)-, ()-

Suppliers and Price of [1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutoxy]-

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
(S)-(+)-4'-(2-METHYLBUTOXY)-4-BIPHENYLCARBONITRILE 98.00%
5MG
$ 504.80

Total 7 raw suppliers

Chemical Property of [1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutoxy]-

Chemical Property:

Melting Point:53-55 °C(lit.)
Boiling Point:412.3°Cat760mmHg
Flash Point:173.1°C
PSA：33.02000
Density:1.06g/cm³
LogP:4.65018
XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:265.146664230
Heavy Atom Count:20
Complexity:316

Purity/Quality:

99% ^*data from raw suppliers

(S)-(+)-4'-(2-METHYLBUTOXY)-4-BIPHENYLCARBONITRILE 98.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22-36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCC(C)COC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
Isomeric SMILES:CC[C@H](C)COC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

Technology Process of [1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutoxy]-

There total 4 articles about [1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutoxy]- 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: 66.0%

: 544-92-3
copper(I) cyanide

: (S)-(+)-4-bromo-4'-(2-methyl-1-butoxy)biphenyl

: 58600-86-5
(S)-(+)-4-cyano-4'-(2-methyl-1-butoxy)biphenyl

Guidance literature:: In N,N-dimethyl-formamide; Heating;

Reference yield:

: 1565-80-6
(2S)-2-methyl-1-butanol

: 58600-86-5
(S)-(+)-4-cyano-4'-(2-methyl-1-butoxy)biphenyl

Guidance literature:: Multi-step reaction with 3 steps

1: 24.5 g / pyridine / 1 h / 0 - 5 °C

2: 76 percent / sodium hydroxide / dimethylsulfoxide / 0.75 h / 90 °C

3: 66 percent / dimethylformamide / Heating

With pyridine; sodium hydroxide; In dimethyl sulfoxide; N,N-dimethyl-formamide;

Reference yield:

: 29558-77-8
4-bromo-4'-hydroxybiphenyl

: 58600-86-5
(S)-(+)-4-cyano-4'-(2-methyl-1-butoxy)biphenyl

Guidance literature:: Multi-step reaction with 2 steps

1: 76 percent / sodium hydroxide / dimethylsulfoxide / 0.75 h / 90 °C

2: 66 percent / dimethylformamide / Heating

With sodium hydroxide; In dimethyl sulfoxide; N,N-dimethyl-formamide;