N-Cyclohexylcyclohexanamine;3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid

Base Information

• Chemical Name: N-Cyclohexylcyclohexanamine;3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid
• CAS No.: 54647-77-7
• Molecular Formula: C25H40N2O4
• Molecular Weight: 432.604
• Hs Code.: 2924299090
• European Community (EC) Number: 259-274-7
• NSC Number: 139936
• Mol file: 54647-77-7.mol

Synonyms:54647-77-7;EINECS 259-274-7;N-Cyclohexylcyclohexanamine;3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;NSC 139936;N-((Benzyloxy)carbonyl)-L-valine, compound with dicyclohexylamine (1:1);NSC139936;NSC-139936

Chemical Property of N-Cyclohexylcyclohexanamine;3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid

Chemical Property:

• Vapor Pressure: 2.99E-08mmHg at 25°C
• Boiling Point: 432.6°C at 760 mmHg
• Flash Point: 215.4°C
• PSA: 87.66000
• LogP: 6.04520
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 432.29880776
• Heavy Atom Count: 31
• Complexity: 401

Purity/Quality:

98.5% ^*data from raw suppliers

N-CARBOBENZOXY-L-VALINE DICYCLOHEXYLAMMONIUM SALT 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2

Technology Process of N-Cyclohexylcyclohexanamine;3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid

There total 1 articles about N-Cyclohexylcyclohexanamine;3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid 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:

L-valine (72-18-4,25609-85-2,7004-03-7,921-10-8) + benzyl chloroformate (501-53-1,94274-21-2) + N-cyclohexyl-cyclohexanamine (101-83-7) → N-[(benzyloxy)carbonyl]-L-valine, compound with dicyclohexylamine (1:1) (54647-77-7)

Guidance literature:

With sodium hydroxide; Multistep reaction; 1.) ca 5 deg C, 15 min 2.) ethyl acetate, Et₂O, 5 min;

DOI:10.1016/S0040-4020(01)87839-X

Reference yield:

glycine ethyl ester hydrochloride (623-33-6) + N-[(benzyloxy)carbonyl]-L-valine, compound with dicyclohexylamine (1:1) (54647-77-7) → ethyl N-(benzyloxycarbonyl)-L-valylglycinate (2766-17-8)

Guidance literature:

With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In dichloromethane; for 2h; temperature: below 0 deg C;

DOI:10.1016/S0040-4020(01)87839-X

Reference yield:

L-valine methylester hydrochloride (6306-52-1) + N-[(benzyloxy)carbonyl]-L-valine, compound with dicyclohexylamine (1:1) (54647-77-7) → methyl (S)-2-((S)-2-benzyloxycarbonyl-amino-3-methylbutyrylamino)-3-methylbutyrate (1999-88-8)

Guidance literature:

With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In dichloromethane; for 2h; temperature: below 0 deg C;

DOI:10.1016/S0040-4020(01)87839-X

upstream raw materials:

L-valine

benzyl chloroformate

N-cyclohexyl-cyclohexanamine

Downstream raw materials:

valylglycine

N-benzyloxycarbonylvalylglycine methyl ester

benzyloxycarbonyl-L-valyl-L-alanine methyl ester

ethyl N-(benzyloxycarbonyl)-L-valylglycinate