Methyl (S)-(-)-2-isocyanato-3-methylbutyrate

Base Information

• Chemical Name: Methyl (S)-(-)-2-isocyanato-3-methylbutyrate
• CAS No.: 30293-86-8
• Molecular Formula: C7H11NO3
• Molecular Weight: 157.169
• Hs Code.: 2929109000
• European Community (EC) Number: 624-876-4
• Nikkaji Number: J510.746F
• Mol file: 30293-86-8.mol

Synonyms:30293-86-8;Methyl (S)-(-)-2-isocyanato-3-methylbutyrate;methyl (2S)-2-isocyanato-3-methylbutanoate;(S)-(-)-2-Isocyanato-3-methylbutyric Acid Methyl Ester;(S)-methyl 2-isocyanato-3-methylbutanoate;Methyl (S)-(-)-2-Isocyanatoisovalerate;Butanoic acid, 2-isocyanato-3-methyl-, methyl ester, (2S)-;SCHEMBL733523;JCVZXXSBCISMLJ-LURJTMIESA-N;methyl N-(oxomethylene)-L-valinate;MFCD00191531;AKOS015855463;(S)-methyl-2-isocyanato-3-methylbutanoate;I0466;methyl(S)-(-)-2-isocyanato-3-methylbutyrate;methyl (S)-(+)-2-isocyanato-3-methylbutyrate;T72258;EN300-1458638;methyl (S)-(-)-2-isocyanato -3-methylbutyrate;(S)-2-isocyanato-3-methylbutanoic acid methyl ester;(S)-2-Isocyanato-3-methylbutyric acid methyl ester;J-017890;(S)-2-isocyanato-3-methyl butyric acid methyl ester;Methyl (S)-(-)-2-isocyanato-3-methylbutyrate, 99%

Chemical Property of Methyl (S)-(-)-2-isocyanato-3-methylbutyrate

Chemical Property:

• Vapor Pressure: 0.845mmHg at 25°C
• Refractive Index: n20/D 1.428(lit.)
• Boiling Point: 181.6 °C at 760 mmHg
• Flash Point: 59.731 °C
• PSA: 55.73000
• Density: 1.06 g/cm³
• LogP: 0.51980
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 157.07389321
• Heavy Atom Count: 11
• Complexity: 182

Purity/Quality:

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

Methyl (S)-(-)-2-Isocyanato-3-methylbutyrate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 23-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)OC)N=C=O
• Isomeric SMILES: CC(C)[C@@H](C(=O)OC)N=C=O
• Uses: Precursor for the synthesis of molecular scaffolds and bridged azapeptide mimetics.