2-(Acetylamino)butanoic acid

Base Information

• Chemical Name: 2-(Acetylamino)butanoic acid
• CAS No.: 7211-57-6
• Molecular Formula: C6H11NO3
• Molecular Weight: 145.158
• European Community (EC) Number: 634-722-8
• NSC Number: 203440,206247,205007
• DSSTox Substance ID: DTXSID00992835
• Nikkaji Number: J125.808G
• Mol file: 7211-57-6.mol

Synonyms:2-acetamidobutanoic acid;7211-57-6;Ac-DL-Abu-OH;(+/-)-2-Acetylaminobutanoic Acid;2-(Acetylamino)butanoic acid;114285-09-5;N-ACETYL-DL-2-AMINO-N-BUTYRIC ACID;7682-14-6;Butanoic acid, 2-(acetylamino)-;34271-24-4;Butyric acid, 2-acetamido-;(-2-Acetylaminobutanoic Acid-d3;Butanoic acid, 2-(acetylamino)-, (A+/-)-;N-Acetyl-DL-2-aminobutyric Acid;NSC203440;acetylaminobutyric acid;starbld0009306;2-Acetamidobutyric Acid;Acetyl-D-2-aminobutyricacid;2-(Acetylamino)butyric acid;SCHEMBL1704966;2-(Acetylamino)butanoic acid #;Butanoic acid,2-(acetylamino)-;DTXSID00992835;N-Acetyl-DL-2-amino-butyric acid;N-Acetyl-.alpha.-aminobutyric acid;MFCD00020430;NSC205007;NSC206247;AKOS003382267;AB01272;DS-9768;NSC-203440;NSC-205007;NSC-206247;2-[(1-Hydroxyethylidene)amino]butanoic acid;A0853;CS-0120033;FT-0661137;FT-0691524;EN300-332601;F14579;A866313;J-003075

Chemical Property of 2-(Acetylamino)butanoic acid

Chemical Property:

• Vapor Pressure: 1.97E-06mmHg at 25°C
• Melting Point: 132 °C
• Refractive Index: 1.456
• Boiling Point: 368.2 °C at 760 mmHg
• Flash Point: 176.5 °C
• PSA: 66.40000
• Density: 1.129 g/cm³
• LogP: 0.37660
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 145.07389321
• Heavy Atom Count: 10
• Complexity: 144

Purity/Quality:

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

2-AcetamidobutanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)O)NC(=O)C

Technology Process of 2-(Acetylamino)butanoic acid

There total 13 articles about 2-(Acetylamino)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: 95.9%

acetic anhydride (108-24-7) + 2-aminobutanoic acid (2835-81-6) → 2-(acetylamino)butanoic acid (7211-57-6,7682-14-6)

Guidance literature:

With acetic acid; at 100 ℃; for 2h;

Reference yield: 82.0%

2-aminobutanoic acid (2835-81-6) → 2-(acetylamino)butanoic acid (7211-57-6,7682-14-6)

Guidance literature:

DOI:10.1246/bcsj.60.947

Reference yield: 63.0%

acetamide (60-35-5) + carbon monoxide (201230-82-2) + allyl alcohol (107-18-6) → 2-(acetylamino)butanoic acid (7211-57-6,7682-14-6)

Guidance literature:

With hydrogen; carbonylhydridetris(triphenylphosphine)rhodium(I); dicobalt octacarbonyl; In 1,4-dioxane; at 110 ℃; for 12h; under 60800 - 83600.1 Torr; further co-catalysts;

DOI:10.1016/S0040-4039(00)87377-3

upstream raw materials:

acetic anhydride

2-aminobutanoic acid

acetic acid

N-allylacetamide

Downstream raw materials:

(Di-N-acetyl-α-aminobutyryloxyjod)-benzol

(4-ethyl-2-methyl-oxazol-5-yl)-diphenyl-amine

2-Acetylamino-N,N-diphenyl-butyramide

2-aminobutanoic acid

Refernces

• 1、 Youshko, Maxim I.,Van Langen, Luuk M.,Sheldon, Roger A.,Svedas, Vytas K.. "Application of aminoacylase I to the enantioselective resolution of α-amino acid esters and amides". . p. 1933 - 1936. Retrieved 2007/10/03.
• 2、 -. "5-ETHYL-IMIDAZO (5,1-F) (1,2,4,) TRIAZIN-4 (3H) -ONES AS PHOSPHODIESTERASE INHIBITORS". Page/Page column 21. . Retrieved 2010/02/07.