2-(2-Chloroacetamido)-3-methylbutanoic acid

Base Information

• Chemical Name: 2-(2-Chloroacetamido)-3-methylbutanoic acid
• CAS No.: 4090-17-9
• Molecular Formula: C7H12ClNO3
• Molecular Weight: 193.63
• European Community (EC) Number: 223-827-0
• NSC Number: 401063,97928
• Mol file: 4090-17-9.mol

Synonyms:4090-17-9;N-Chloroacetyl-DL-valine;2-(2-chloroacetamido)-3-methylbutanoic acid;Chloroacetyl-dl-valine;2-[(2-chloroacetyl)amino]-3-methylbutanoic acid;C7H12ClNO3;N-(Chloroacetyl)-DL-valine;EINECS 223-827-0;N-(Chloroacetyl)valine #;NSC97928;Chloracetyl-D,L-valin;SCHEMBL3497155;DL-Valine, N-(chloroacetyl)-;CAA27916;MFCD00062945;NSC-97928;NSC401063;AKOS001057693;AKOS016051322;HY-W142129;NSC 401063;NSC-401063;UPCMLD0ENAT5224643:001;BS-44073;Chloroacetyl-DL-valine (ClAc-DL-Val-OH);CS-0201912;FT-0634176;FT-0712345;EN300-17602;D89199;Z56968783

Chemical Property of 2-(2-Chloroacetamido)-3-methylbutanoic acid

Chemical Property:

• Melting Point: 130 °C
• Storage Temp.: −20°C
• Solubility.: almost transparency in Methanol
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 193.0505709
• Heavy Atom Count: 12
• Complexity: 182

Purity/Quality:

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

N-Chloroacetyl-DL-valine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C(C(=O)O)NC(=O)CCl

Technology Process of 2-(2-Chloroacetamido)-3-methylbutanoic acid

There total 3 articles about 2-(2-Chloroacetamido)-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: 75.0%

D,L-valine (516-06-3,25609-85-2,7004-03-7,921-10-8) + chloroacetyl chloride (79-04-9) → racemic N-chloroacetylvaline (4090-17-9)

Guidance literature:

In acetonitrile; for 1.5h;

DOI:10.1021/ja00198a055

Reference yield:

chloroacetyl chloride (79-04-9) → racemic N-chloroacetylvaline (4090-17-9)

Guidance literature:

With sodium hydroxide; d(-)-chloroacetyl-valine;

Reference yield:

D-Val-OH (640-68-6,25609-85-2,7004-03-7,921-10-8) + chloroacetyl chloride (79-04-9) → racemic N-chloroacetylvaline (4090-17-9)

Guidance literature:

With sodium hydroxide; chloroacetyl-d-valine;

upstream raw materials:

D,L-valine

chloroacetyl chloride

D-Val-OH

Downstream raw materials:

3-methyl-2-ketobutanoic acid

ammonia

acetic acid

2-methyl-4-iso-propyl-4H-oxazolin-5-one

Refernces