Ethyl 2-amino-3-oxobutanoate hydrochloride

Base Information

• Chemical Name: Ethyl 2-amino-3-oxobutanoate hydrochloride
• CAS No.: 20207-16-3
• Molecular Formula: C6H11NO3.ClH
• Molecular Weight: 181.619
• Hs Code.: 2922509090
• European Community (EC) Number: 825-138-6
• DSSTox Substance ID: DTXSID60534573
• Mol file: 20207-16-3.mol

Synonyms:ethyl 2-amino-3-oxobutanoate hydrochloride;20207-16-3;ethyl 2-amino-3-oxobutanoate;hydrochloride;Ethyl 2-amino-3-oxobutanoate, HCl;MFCD09971784;ETHYL 2-AMINO-3-OXOBUTANOATE HCL;Butanoic acid, 2-amino-3-oxo-, ethyl ester, hydrochloride (1:1);Butanoic acid, 2-amino-3-oxo-, ethyl ester, hydrochloride;SCHEMBL1340977;DTXSID60534573;BGJIQVZAHKXUFG-UHFFFAOYSA-N;AM9786;AKOS009235685;ethyl 2-aminoacetoacetate hydrochloride;ethyl2-amino-3-oxobutanoatehydrochloride;DS-14187;ethyl alpha-aminoacetoacetate hydrochloride;Ethyl 2-amino-3-ketobutanoate hydrochloride;ethyl 2-amino-3-oxo-butanoate hydrochloride;EN300-40378;A879781;J-013124;Ethyl 2-amino-3-oxobutanoate--hydrogen chloride (1/1);(+/-)-2-amino-3-oxo-butyric acid ethyl ester hydrochloride

Chemical Property of Ethyl 2-amino-3-oxobutanoate hydrochloride

Chemical Property:

• Melting Point: 114-115℃
• Boiling Point: 229.2 °C at 760 mmHg
• Flash Point: 92.4 °C
• PSA: 69.39000
• LogP: 0.96810
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 181.0505709
• Heavy Atom Count: 11
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2-amino-3-oxobutanoatehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C(=O)C)N.Cl
• Uses: Ethyl 2-amino-3-oxobutanoate, HCl

Technology Process of Ethyl 2-amino-3-oxobutanoate hydrochloride

There total 8 articles about Ethyl 2-amino-3-oxobutanoate hydrochloride 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: 95.0%

ethyl 2-hydroxyimino-3-oxobutanoate (5408-04-8) → ethyl 2-amino-3-oxobutanoate hydrochloride (20207-16-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In hydrogenchloride; ethanol;

DOI:10.1002/hlca.19870700128

Reference yield:

ethyl acetoacetate (141-97-9) → ethyl 2-amino-3-oxobutanoate hydrochloride (20207-16-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium nitrite; acetic acid / water / 0 - 20 °C

2: palladium 10% on activated carbon; hydrogen; hydrogenchloride / ethanol / 20 °C

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; acetic acid; sodium nitrite; In ethanol; water;

DOI:10.1248/cpb.c13-00513

Reference yield:

(2RS)-tert-butoxycarbonylamino-3-oxo-butyric acid ethyl ester (178200-66-3) → ethyl 2-amino-3-oxobutanoate hydrochloride (20207-16-3)

Guidance literature:

With hydrogenchloride; water; In ethyl acetate; at 20 ℃; for 3h;

upstream raw materials:

ethyl 2-hydroxyimino-3-oxobutanoate

ethyl 2-nitro-3-oxobutyrate

ethyl acetoacetate

(2RS)-tert-butoxycarbonylamino-3-oxo-butyric acid ethyl ester

Downstream raw materials:

ethyl 5-methyl-1H-pyrrole-2-carboxylate

diethyl 3-methyl-pyrrole-2,5-dicarboxylate

<2,4-Dimethyl-5-ethoxycarbonyl-pyrryl-(3)>-glyoxylsaeureester

ethyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate

Refernces

• 1、 -. "INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE". Page/Page column 66; 72. . Retrieved 2019/03/05.
• 2、 -. "OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS". Paragraph 0269; 0270; 0273; 0274. . Retrieved 2018/06/12.