2-[(Cyclohexylcarbonyl)amino]-3-methylbutanoic acid

Base Information

• Chemical Name: 2-[(Cyclohexylcarbonyl)amino]-3-methylbutanoic acid
• CAS No.: 118528-57-7
• Molecular Formula: C₁₂H₂₁NO₃
• Molecular Weight: 227.304
• DSSTox Substance ID: DTXSID80387982
• Mol file: 118528-57-7.mol

Synonyms:118528-57-7;2-[(cyclohexylcarbonyl)amino]-3-methylbutanoic acid;L-Valine,N-(cyclohexylcarbonyl)-;2-(cyclohexanecarbonylamino)-3-methylbutanoic acid;N-(Cyclohexanecarbonyl)valine;2-(Cyclohexanecarboxamido)-3-methylbutanoic acid;2-(CYCLOHEXYLFORMAMIDO)-3-METHYLBUTANOIC ACID;(S)-2-(cyclohexanecarboxamido)-3-methylbutanoic acid;N-(cyclohexylcarbonyl)valine;SCHEMBL9829571;DTXSID80387982;HMS1595D19;STK009282;AKOS000264331;AKOS016283961;NCGC00332986-01;EN300-25894;2-(Cyclohexanecarboxamido)-3-methylbutanoicacid;AB00354807-03;SR-01000279803;SR-01000279803-1;Z57228992;2-[(CYCLOHEXYLCARBONYL)AMINO]-3-METHYLBUTANOICACID

Chemical Property of 2-[(Cyclohexylcarbonyl)amino]-3-methylbutanoic acid

Chemical Property:

• Vapor Pressure: 7.07E-09mmHg at 25°C
• Refractive Index: 1.493
• Boiling Point: 437.5°Cat760mmHg
• Flash Point: 218.4°C
• PSA: 69.89000
• Density: 1.093g/cm³
• LogP: 2.63240
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 227.15214353
• Heavy Atom Count: 16
• Complexity: 257

Purity/Quality:

97% ^*data from raw suppliers

2-(Cyclohexanecarboxamido)-3-methylbutanoicacid 95+% ^*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)C1CCCCC1

Technology Process of 2-[(Cyclohexylcarbonyl)amino]-3-methylbutanoic acid

There total 2 articles about 2-[(Cyclohexylcarbonyl)amino]-3-methylbutanoic 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:

D,L-valine (516-06-3,25609-85-2,7004-03-7,921-10-8) + cyclohexanylcarbonyl chloride (2719-27-9) → N-cyclohexanecarbonyl-valine (118528-57-7)

Guidance literature:

Reference yield:

→ N-cyclohexanecarbonyl-valine (118528-57-7)

Guidance literature:

upstream raw materials:

D,L-valine

cyclohexanylcarbonyl chloride

Refernces

• 1、 -. "Composition containing a penem or carbapenem antibiotic". . . Retrieved 2008/06/13.