Acetonitrile, cis-

Base Information

Chemical Name:Acetonitrile, cis-
CAS No.:96617-23-1
Molecular Formula:C21H22N2O
Molecular Weight:318.4122
Hs Code.:
NSC Number:617644
DSSTox Substance ID:DTXSID20914418
ChEMBL ID:CHEMBL1999764

Synonyms:96617-23-1;NSC617644;Acetonitrile, cis-;CHEMBL1999764;DTXSID20914418;NSC-617644;NCI60_005324;{Benzyl[2-hydroxy-2-(1-phenylethenyl)cyclobutyl]amino}acetonitrile

Suppliers and Price of Acetonitrile, cis-

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

Total 6 raw suppliers

Chemical Property of Acetonitrile, cis-

Chemical Property:

Vapor Pressure:4.66E-11mmHg at 25°C
Boiling Point:505.9°C at 760 mmHg
Flash Point:259.8°C
Density:1.16g/cm³
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:318.173213330
Heavy Atom Count:24
Complexity:481

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=C(C1=CC=CC=C1)C2(CCC2N(CC#N)CC3=CC=CC=C3)O
Isomeric SMILES:C=C(C1=CC=CC=C1)[C@]2(CC[C@@H]2N(CC#N)CC3=CC=CC=C3)O

Technology Process of Acetonitrile, cis-

There total 2 articles about Acetonitrile, cis- 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: 58.0%

: 45680-22-6
α-lithiostyrene

: 96617-35-5
[Benzyl-(2-oxo-cyclobutyl)-amino]-acetonitrile

: 96617-23-1
{Benzyl-[(1S,2S)-2-hydroxy-2-(1-phenyl-vinyl)-cyclobutyl]-amino}-acetonitrile

Guidance literature:: In tetrahydrofuran; at -78 ℃;
DOI:10.1021/jo00213a049

Reference yield:

: 3010-05-7
benzylaminoacetonitrile

: 96617-23-1
{Benzyl-[(1S,2S)-2-hydroxy-2-(1-phenyl-vinyl)-cyclobutyl]-amino}-acetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / methanol / 25 °C

2: 58 percent / tetrahydrofuran / -78 °C

In tetrahydrofuran; methanol;
DOI:10.1021/jo00213a049