Ethyl 3-amino-3-methylbutanoate hydrochloride

Base Information

• Chemical Name: Ethyl 3-amino-3-methylbutanoate hydrochloride
• CAS No.: 85532-40-7
• Molecular Formula: C7H15NO2.ClH
• Molecular Weight: 181.663
• Hs Code.: 2922499990
• European Community (EC) Number: 888-932-1
• DSSTox Substance ID: DTXSID80574759
• Mol file: 85532-40-7.mol

Synonyms:Ethyl 3-amino-3-methylbutanoate hydrochloride;85532-40-7;Ethyl 3-Amino-3-methylbutyrate Hydrochloride;MFCD11844787;ethyl 3-amino-3-methylbutanoate;hydrochloride;Ethyl 3-amino-3-methylbutanoate, HCl;ETHYL 3-AMINO-3-METHYLBUTANOATE HCL;Butanoic acid, 3-amino-3-methyl-, ethyl ester, hydrochloride;Ethyl3-amino-3-methylbutanoatehydrochloride;SCHEMBL944681;DTXSID80574759;HFBJSIGXRKAYAF-UHFFFAOYSA-N;AKOS015920021;CS-W003795;GS-4170;AM804417;SY025331;E0809;EN300-7370858;3-Amino-3-methyl-butyric acid ethyl ester x HCl;A852032;J-520843;3-Amino-3-methyl-butyric acid ethyl ester hydrochloride;3-Amino-3-methylbutyric Acid Ethyl Ester Hydrochloride;Ethyl 3-amino-3-methylbutanoate--hydrogen chloride (1/1)

Chemical Property of Ethyl 3-amino-3-methylbutanoate hydrochloride

Chemical Property:

• Vapor Pressure: 0.0442mmHg at 25°C
• Melting Point: 99.0 to 103.0 °C
• Boiling Point: 233.9oC at 760 mmHg
• Flash Point: 95.2oC
• PSA: 52.32000
• LogP: 2.17920
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 181.0869564
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-amino-3-methylbutanoatehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 3-amino-3-methylbutanoate hydrochloride

There total 3 articles about Ethyl 3-amino-3-methylbutanoate 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: 84.0%

ethyl 3-methylbut-2-enoate (638-10-8) → Ethyl 3-amino-3-methylbutanoate hydrochloride salt (85532-40-7)

Guidance literature:

With ammonia; In ethanol; at 90 ℃; for 24h;

DOI:10.1021/jm800977q

Reference yield:

ethyl 3-(N-Benzyl-amino)3-methylbutyrate Hydrochloride (85532-41-8) → Ethyl 3-amino-3-methylbutanoate hydrochloride salt (85532-40-7)

Guidance literature:

Pd-C;

Reference yield:

→ Ethyl 3-amino-3-methylbutanoate hydrochloride salt (85532-40-7)

Guidance literature:

With ammonia; In ethanol; at 90 ℃; for 24h; Autoclave;

With hydrogenchloride; In ethanol; at 0 ℃; Inert atmosphere;

upstream raw materials:

ethyl 3-methylbut-2-enoate

ethyl 3-(N-Benzyl-amino)3-methylbutyrate Hydrochloride

Downstream raw materials:

2-Amino-6,7-dihydro-6,6-dimethylthiazolo[5,4-c]pyridin-4(5H)-one

2-(6-bromo-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-6,7-dihydro-6,6-dimethylthiazolo[5,4-c]pyridin-4(5H)-one

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

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