Ethyl 3-amino-3-methylbutanoate

Base Information

• Chemical Name: Ethyl 3-amino-3-methylbutanoate
• CAS No.: 85532-42-9
• Molecular Formula: C7H15NO2
• Molecular Weight: 145.202
• European Community (EC) Number: 843-677-5
• Nikkaji Number: J3.152.099A
• Mol file: 85532-42-9.mol

Synonyms:ethyl 3-amino-3-methylbutanoate;85532-42-9;3-Amino-3-methyl-butyric acid ethyl ester;Butanoic acid, 3-amino-3-methyl-, ethyl ester;SCHEMBL1409293;ethyl-3-amino-3-methylbutanoate;CINTWGJQDJSXPJ-UHFFFAOYSA-N;MFCD14584658;AKOS006342349;SB39058;3-Amino-3-methylbutyric acid ethyl ester;AS-39685;CS-0342420;FT-0748615;EN300-127316

Chemical Property of Ethyl 3-amino-3-methylbutanoate

Chemical Property:

• PSA: 52.32000
• LogP: 1.37720
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 145.110278721
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-Amino-3-methylbutanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CC(C)(C)N

Technology Process of Ethyl 3-amino-3-methylbutanoate

There total 4 articles about Ethyl 3-amino-3-methylbutanoate 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: 89.0%

ethyl 3-methylbut-2-enoate (638-10-8) → ethyl 3-amino-3-methylbutanoate (85532-42-9)

Guidance literature:

With ammonia; In ethanol; at 80 ℃; for 22h;

DOI:10.1021/jm00106a026

Reference yield:

2,2-dimethyl-4-oxo-azetidine-1-sulfonyl chloride (17174-96-8) + ethanol (64-17-5) → ethyl 3-amino-3-methylbutanoate (85532-42-9)

Guidance literature:

With sodium ethanolate; anschliessend mit wss.HCl;

Reference yield:

2,2-dimethyl-4-oxo-azetidine-1-sulfonyl chloride (17174-96-8) + sodium ethanolate (141-52-6) → ethyl 3-amino-3-methylbutanoate (85532-42-9)

Guidance literature:

Multistep reaction; (i), (ii) HCl;

upstream raw materials:

2,2-dimethyl-4-oxo-azetidine-1-sulfonyl chloride

ethanol

ethyl 3-methylbut-2-enoate

sodium ethanolate

Downstream raw materials:

ethyl 3-<(butyloxycarbonyl)amino>-3-methylbutanoate

3-(2-Hydroxy-3-o-tolyloxy-propylamino)-3-methyl-butyric acid ethyl ester

[2-((S)-1-{[(S)-1-[(1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-5-methyl-4-((S)-2-methyl-butylcarbamoyl)-hexylcarbamoyl]-2-(1H-imidazol-4-yl)-ethyl]-methyl-carbamoyl}-2-phenyl-ethylcarbamoyl)-1,1-dimethyl-ethyl]-carbamic acid tert-butyl ester

C₅₃H₈₁N₇O₉S

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