Benzyl 3-aminopropanoate

Base Information

• Chemical Name: Benzyl 3-aminopropanoate
• CAS No.: 14529-00-1
• Molecular Formula: C10H13 N O2
• Molecular Weight: 179.219
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID60360470
• Nikkaji Number: J1.178.195K
• Wikidata: Q82142229
• Mol file: 14529-00-1.mol

Synonyms:Benzyl 3-aminopropanoate;14529-00-1;beta-alanine benzyl ester;beta-Alanine, phenylmethyl ester;3-Aminopropanoic acid benzyl ester;benzyl beta-alaninate;beta-Ala-OBzl;H-beta-Ala-OBzl;Benzyl3-aminopropanoate;benzyl 3-aminopropionate;Oprea1_021416;SCHEMBL958928;CANCPUBPPUIWPX-UHFFFAOYSA-;DTXSID60360470;CANCPUBPPUIWPX-UHFFFAOYSA-N;CS-W018357;?-Alanine Benzyl Ester p-Toluenesulfonate;LS-13800;FT-0750052;D77832;EN300-106890;InChI=1/C10H13NO2/c11-7-6-10(12)13-8-9-4-2-1-3-5-9/h1-5H,6-8,11H2

Chemical Property of Benzyl 3-aminopropanoate

Chemical Property:

• PSA: 52.32000
• LogP: 1.77890
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 153

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-propionic acid benzyl ester ^*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)CCN

Technology Process of Benzyl 3-aminopropanoate

There total 6 articles about Benzyl 3-aminopropanoate 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: 94.1%

benzyl alcohol (100-51-6,185532-71-2) + 3-amino propanoic acid (107-95-9) → benzyl 3-aminopropionate (14529-00-1)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; at 105 ℃; for 5h;

Reference yield: 93.0%

p-toluenesulfonic acid monohydrate (6192-52-5) + 3-amino propanoic acid (107-95-9) → benzyl 3-aminopropionate (14529-00-1)

Guidance literature:

With benzyl alcohol; In benzene;

Reference yield:

benzyl alcohol (100-51-6,185532-71-2) → benzyl 3-aminopropionate (14529-00-1)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene

2: HBr; acetic acid

With hydrogen bromide; acetic acid; benzene;

DOI:10.1021/jo50012a002

upstream raw materials:

3-benzyloxycarbonylaminopropionic acid benzyl ester

p-toluenesulfonic acid monohydrate

benzyl alcohol

3-amino propanoic acid

Downstream raw materials:

β-Formylaminopropionsaeurebenzylester

N-Iodacetyl-β-aminopropionsaeurebenzylester

benzyl 3-(3-(tert-butoxycarbonylamino)propanamido)propanoate

Boc-Orn(Boc)-β-Ala-OBzl