Propan-2-yl 4-aminobutanoate hydrochloride

Base Information

• Chemical Name: Propan-2-yl 4-aminobutanoate hydrochloride
• CAS No.: 64834-27-1
• Molecular Formula: C7H15NO2.ClH
• Molecular Weight: 181.66000
• DSSTox Substance ID: DTXSID40495436
• Mol file: 64834-27-1.mol

Synonyms:64834-27-1;propan-2-yl 4-aminobutanoate hydrochloride;propan-2-yl 4-aminobutanoate;hydrochloride;Butanoic acid, 4-amino-, 1-methylethyl ester, hydrochloride;SCHEMBL10347010;DTXSID40495436;AKOS026744896;propan-2-yl4-aminobutanoatehydrochloride;EN300-137382;Propan-2-yl 4-aminobutanoate--hydrogen chloride (1/1)

Chemical Property of Propan-2-yl 4-aminobutanoate hydrochloride

Chemical Property:

• Melting Point: 64.5-66.5 °C(Solv: isopropanol (67-63-0))
• PSA: 52.32000
• LogP: 2.17920
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 181.0869564
• Heavy Atom Count: 11
• Complexity: 102

Purity/Quality:

99% ^*data from raw suppliers

propan-2-yl4-aminobutanoatehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)CCCN.Cl

Technology Process of Propan-2-yl 4-aminobutanoate hydrochloride

There total 1 articles about Propan-2-yl 4-aminobutanoate 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: 97.0%

isopropyl alcohol (67-63-0,8013-70-5) + 4-amino-n-butyric acid (56-12-2) → γ-aminobutyric acid isopropyl ester hydrochloride (64834-27-1)

Guidance literature:

With thionyl chloride; for 24h;

DOI:10.1016/0022-2860(93)80291-3

upstream raw materials:

isopropyl alcohol

4-amino-n-butyric acid

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