Dicyclohexylamine (S)-2-(((benzyloxy)carbonyl)amino)-3,3-dimethylbutanoate

Base Information

• Chemical Name: Dicyclohexylamine (S)-2-(((benzyloxy)carbonyl)amino)-3,3-dimethylbutanoate
• CAS No.: 62965-37-1
• Molecular Formula: C26H42N2O4
• Molecular Weight: 446.63
• Hs Code.: 2924299090
• European Community (EC) Number: 613-119-3
• DSSTox Substance ID: DTXSID60585045
• Mol file: 62965-37-1.mol

Synonyms:62965-37-1;Dicyclohexylamine (S)-2-(((benzyloxy)carbonyl)amino)-3,3-dimethylbutanoate;Z-TLE-OH DCHA;Z-tBu-Gly-OH DCHA;Z-Tle-OH (dicyclohexylammonium) salt;N-cyclohexylcyclohexanamine;(2S)-3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoic acid;Dicyclohexylamine (S)-2-(((benzyloxy)carbonyl)-amino)-3,3-dimethylbutanoate;C26H42N2O4;Z-Tle-OH DCHA;DTXSID60585045;MFCD00161480;AKOS016002013;AM808167;AS-56465;CS-0031393;NS00078621;W16698;A868295;Z-Tle-OH (dicyclohexylammonium) salt, >=99.0% (HPLC);dicyclohexylamine (s)-2-(((benzyloxy)carbonyl)amino)-3,3-dimethyl butanoate;Dicyclohexylamine(S)-2-(((benzyloxy)carbonyl)amino)-3,3-dimethylbutanoate;N-[(Benzyloxy)carbonyl]-3-methyl-L-valine - N-cyclohexylcyclohexanamine (1:1)

Chemical Property of Dicyclohexylamine (S)-2-(((benzyloxy)carbonyl)amino)-3,3-dimethylbutanoate

Chemical Property:

• Vapor Pressure: 1.25E-15mmHg at 25°C
• Melting Point: 163-167 °C
• Boiling Point: 607.9 °C at 760 mmHg
• Flash Point: 321.4 °C
• PSA: 87.66000
• Density: 1.1 at 20℃
• LogP: 6.43530
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 446.31445783
• Heavy Atom Count: 32
• Complexity: 432

Purity/Quality:

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

Z-L-tert-butyl-glycine dicyclohexylamine salt ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2
• Isomeric SMILES: CC(C)(C)[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2
• Uses: 3-methyl-N-[(phenylmethoxy)carbonyl]-L-Valine, with N-cyclohexylcyclohexanamine is used in the preparation of an intermediate towards the interleukin-1β converting enzyme inhibitor VX-765 using the palladium-catalyzed coupling of a bromodihydrofuranone with Cbz-L-prolinamide as the key step.