gamma-Aminobutyric acid benzyl ester

Base Information

• Chemical Name: gamma-Aminobutyric acid benzyl ester
• CAS No.: 46347-99-3
• Molecular Formula: C11H15NO2
• Molecular Weight: 193.246
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID50963555
• Nikkaji Number: J2.038.038A
• Wikidata: Q82945439
• Mol file: 46347-99-3.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 gamma-Aminobutyric acid benzyl ester

Chemical Property:

• Vapor Pressure: 0.00105mmHg at 25°C
• Refractive Index: 1.527
• Boiling Point: 301.4 °C at 760 mmHg
• Flash Point: 156.7 °C
• PSA: 52.32000
• Density: 1.079 g/cm³
• LogP: 2.16900
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of gamma-Aminobutyric acid benzyl ester

There total 2 articles about gamma-Aminobutyric acid benzyl ester 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) → benzyl 4-aminobutanoate (46347-99-3)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 5h; Reflux;

DOI:10.1248/cpb.57.1081

Reference yield:

γ-aminobutyryl chloride (63095-61-4) + benzyl alcohol (100-51-6,185532-71-2) → benzyl 4-aminobutanoate (46347-99-3)

Guidance literature:

DOI:10.1002/hlca.19970800421

Reference yield: 98.0%

benzyl 4-aminobutanoate (46347-99-3) + Boc-Thr-OH (2592-18-9) → benzyl 4-(2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanamido)butanoate

Guidance literature:

With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1016/j.bmc.2018.04.045

upstream raw materials:

benzyl alcohol

4-amino-n-butyric acid

γ-aminobutyryl chloride

Downstream raw materials:

N-Formylsarcolysyl-γ-aminobuttersaeurebenzylester

benzyl 4-amino>butylate

Boc-Phe-γ-Abu-OBzl

4-[7-Butoxy-5-hydroxy-2,2-dimethyl-chroman-(4E)-ylideneamino]-butyric acid benzyl ester