(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

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:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• 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:

2-Methylbutanoic acid (116-53-0,600-07-7) + phenylacetonitrile (140-29-4) → phenylacetic acid (103-82-2) + (R)-2-methyl-butyronitrile (137120-33-3) + (+)-(S)-2-methylbutane nitrile (25570-03-0)

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%

(+)-(S)-2-methylbutane nitrile (25570-03-0) + Diethyl methylphosphonate (683-08-9) + benzaldehyde (100-52-7) + phenyl isocyanate (103-71-9) → C27H27N3O2 (1005735-93-2)

Guidance literature:

Multistep reaction.;

DOI:10.1021/jo701973d

Reference yield:

(+)-(S)-2-methylbutane nitrile (25570-03-0) → hydrogen cyanide (74-90-8)

Guidance literature:

With hydrogenchloride; ammonium peroxodisulfate; manganese (II) acetate tetrahydrate; In water; at 85 ℃; for 3h;

DOI:10.1039/c8gc01730a

upstream raw materials:

2-Methylbutanoic acid

phenylacetonitrile

Downstream raw materials:

epilotaustralin

lotaustralin

(S)-2-methylbutylamine

C₂₇H₂₇N₃O₂