(S)-(+)-2-Methylbutyronitrile

Base Information

Chemical Name:(S)-(+)-2-Methylbutyronitrile
CAS No.:25570-03-0
Molecular Formula:C5H9 N
Molecular Weight:83.1332
Hs Code.:2926909090
European Community (EC) Number:621-903-1
UNII:GV2WA95CCL
DSSTox Substance ID:DTXSID101311237
Nikkaji Number:J57.416C
Wikidata:Q74417944
Mol file:25570-03-0.mol

Synonyms:(S)-2-methylbutyronitrile

Suppliers and Price of (S)-(+)-2-Methylbutyronitrile

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

Sigma-Aldrich
(S)-(+)-2-Methylbutyronitrile 98%
250mg
$ 61.30

Chem-Impex
(S)-(+)-2-Methylbutyronitrile,≥98%(Assay)Hazmat ≥98%(Assay)
250MG
$ 59.40

American Custom Chemicals Corporation
(S)-(+)-2-METHYLBUTYRONITRILE 95.00%
250MG
$ 602.86

Total 12 raw suppliers

Chemical Property of (S)-(+)-2-Methylbutyronitrile

Chemical Property:

Vapor Pressure:11.2mmHg at 25°C
Melting Point:-60.33°C (estimate)
Refractive Index:n20/D 1.39(lit.)
Boiling Point:125-126 °C(lit.)
Flash Point:76 °F
PSA：23.79000
Density:0.786 g/mL at 25 °C(lit.)
LogP:1.55608
Storage Temp.:2-8°C
XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:83.073499291
Heavy Atom Count:6
Complexity:67.3

Purity/Quality:

99%, ^*data from raw suppliers

(S)-(+)-2-Methylbutyronitrile 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 10-20/21/22
Safety Statements: 16-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C)C#N
Isomeric SMILES:CC[C@H](C)C#N

Technology Process of (S)-(+)-2-Methylbutyronitrile

There total 1 articles about (S)-(+)-2-Methylbutyronitrile 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:

: 116-53-0,600-07-7
2-Methylbutanoic acid

: 140-29-4
phenylacetonitrile

: 103-82-2
phenylacetic acid

: 137120-33-3
(R)-2-methyl-butyronitrile

: 25570-03-0
(+)-(S)-2-methylbutane nitrile

Guidance literature:: With sulfuric acid; at 190 ℃; Product distribution; exchange reaction between (+)-(S)-2-methylbutanoic acid (95percent optical purity) and phenylacetonitrile, optical yield, racemization; stereoselective formation of nitrile by the reaction with chlorosulfonylisocyanate under mild conditions;

Reference yield: 25.0%

: 25570-03-0
(+)-(S)-2-methylbutane nitrile

: 683-08-9
Diethyl methylphosphonate

: 100-52-7
benzaldehyde

: 103-71-9
phenyl isocyanate

: 1005735-93-2
C₂₇H₂₇N₃O₂

Guidance literature:: Multistep reaction.;
DOI:10.1021/jo701973d

Reference yield:

: 25570-03-0
(+)-(S)-2-methylbutane nitrile

: 74-90-8
hydrogen cyanide

Guidance literature:: With hydrogenchloride; ammonium peroxodisulfate; manganese (II) acetate tetrahydrate; In water; at 85 ℃; for 3h;
DOI:10.1039/c8gc01730a