Butanoic acid, 4-amino-, phenylmethyl ester, hydrochloride

Base Information

• Chemical Name: Butanoic acid, 4-amino-, phenylmethyl ester, hydrochloride
• CAS No.: 78287-52-2
• Molecular Formula: C11H15NO2.ClH
• Molecular Weight: 229.707
• European Community (EC) Number: 837-808-5
• DSSTox Substance ID: DTXSID30595752
• Mol file: 78287-52-2.mol

Synonyms:GABA benzyl ester;gamma-aminobutyric acid benzyl ester;gamma-aminobutyric acid benzyl ester benzenesulfonate;gamma-aminobutyric acid benzyl ester hydrochloride;gamma-aminobutyric acid benzyl ester tosylate

Chemical Property of Butanoic acid, 4-amino-, phenylmethyl ester, hydrochloride

Chemical Property:

• PSA: 52.32000
• LogP: 2.97100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 229.0869564
• Heavy Atom Count: 15
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

Butanoicacid,4-amino-,phenylmethylester,hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)CCCN.Cl

Technology Process of Butanoic acid, 4-amino-, phenylmethyl ester, hydrochloride

There total 4 articles about Butanoic acid, 4-amino-, phenylmethyl ester, 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: 98.0%

benzyl alcohol (100-51-6,185532-71-2) + 4-amino-n-butyric acid (56-12-2) → 4-aminobutanoic acid benzyl ester hydrochloride (78287-52-2)

Guidance literature:

With thionyl chloride; for 24h;

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

Reference yield: 83.0%

→ 4-aminobutanoic acid benzyl ester hydrochloride (78287-52-2)

Guidance literature:

Reference yield: 72.0%

benzyl 4-((tert-butoxycarbonyl)amino)butanoate (95656-84-1) → 4-aminobutanoic acid benzyl ester hydrochloride (78287-52-2)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; for 3h;

upstream raw materials:

benzyl alcohol

4-amino-n-butyric acid

benzyl bromide

benzyl 4-((tert-butoxycarbonyl)amino)butanoate

Downstream raw materials:

benzyl 4-(2-hydroxyhexadecanamido)butanoate

benzyl 4-(2-oxohexadecanamido)butanoate

nicotinoyl chloride

benzyl 4-isocyanobutanoate