Ethyl 3-aminopropanoate

Base Information

• Chemical Name: Ethyl 3-aminopropanoate
• CAS No.: 924-73-2
• Molecular Formula: C5H11 N O2
• Molecular Weight: 117.148
• Hs Code.: 2922499990
• UNII: ZWD52URW2Y
• DSSTox Substance ID: DTXSID20329386
• Nikkaji Number: J215.810H
• Wikipedia: %CE%92-Alanine_ethyl_ester
• Wikidata: Q4897178
• ChEMBL ID: CHEMBL1907041
• Mol file: 924-73-2.mol

Synonyms:Ethyl 3-aminopropanoate;924-73-2;Beta-alanine ethyl ester;3-amino-propionic acid ethyl ester;ethyl beta-alaninate;3-aminopropionic acid ethyl ester;ZWD52URW2Y;3-aminopropanoic acid ethyl ester;Ethyl beta-alanate;Ethyl 3-aminopropionate;Ethyl3-aminopropanoate;b-Alanine, ethyl ester;UNII-ZWD52URW2Y;Ethyl beta-aminopropionate;Ethyl 3-aminopropanoate #;SCHEMBL64965;ETHYL .BETA.-ALANATE;CHEMBL1907041;DTXSID20329386;.BETA.-ALANINE ETHYL ESTER;ETHYL .BETA.-AMINOPROPIONATE;MFCD02114093;STL304618;AKOS016010779;NCGC00247377-01;BS-12863;CS-0343396;FT-0693359;EN300-56438;F19878;A860079;Q4897178

Chemical Property of Ethyl 3-aminopropanoate

Chemical Property:

• Melting Point: 113-114 °C(Solv: benzene (71-43-2))
• Boiling Point: 54-56 °C
• PKA: 8.80±0.10(Predicted)
• PSA: 52.32000
• Density: 0.990±0.06 g/cm3(Predicted)
• LogP: 0.59860
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 117.078978594
• Heavy Atom Count: 8
• Complexity: 72.8

Purity/Quality:

99% ^*data from raw suppliers

Ethyl3-aminopropanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41-52
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCN

Technology Process of Ethyl 3-aminopropanoate

There total 26 articles about Ethyl 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: 100.0%

ethanol (64-17-5) + 3-amino propanoic acid (107-95-9) → 3-amino-propionic acid ethyl ester (924-73-2)

Guidance literature:

With thionyl chloride; at 20 - 50 ℃;

DOI:10.1038/aps.2011.7

Reference yield: 85.0%

3-azidopropionic acid ethyl ester (40139-55-7) → 3-amino-propionic acid ethyl ester (924-73-2)

Guidance literature:

With zinc(II) tetrahydroborate; In 1,2-dimethoxyethane; for 6h; Ambient temperature;

DOI:10.1021/jo00094a021

Reference yield:

ethyl acrylate (140-88-5,9003-32-1) → 3-amino-propionic acid ethyl ester (924-73-2) + 3,3'-imino-di-propionic acid diethyl ester (3518-88-5)

Guidance literature:

With ammonium hydroxide; palladium; In tetrahydrofuran; at 65 ℃; for 6h;

DOI:10.1016/S0022-328X(01)01083-X

upstream raw materials:

N-formyl-β-alanine ethyl ester

ethanol

β-alanine hydrochloride

ethyl 2-cyanoacetate

Downstream raw materials:

2-azetidinone

Tris<2-(ethoxycarbonyl)ethyl>amin

3,3'-imino-di-propionic acid diethyl ester

N-(N-benzyloxycarbonyl-glycyl)-β-alanine ethyl ester

Refernces

• 1、 Chen, Dan-Qi,Wang, Xin,Chen, Lin,He, Jin-Xue,Miao, Ze-Hong,Shen, Jing-Kang. "Novel liver-specific cholic acid-cytarabine conjugates with potent antitumor activities: Synthesis and biological characterization". . p. 664 - 672. Retrieved 2011.
• 2、 Zhou, Ruolan,Fang, Shaoyu,Zhang, Minmin,Zhang, Qingsen,Hu, Jian,Wang, Mingping,Wang, Chongqing,Zhu, Ju,Shen, Aijun,Chen, Xin,Zheng, Canhui. "Design, synthesis, and bioactivity evaluation of novel Bcl-2/HDAC dual-target inhibitors for the treatment of multiple myeloma". supporting information. p. 349 - 352. Retrieved 2019/01/04.
• 3、 -. "Resveratrol amino acid ester derivative and preparation method thereof". Paragraph 0059; 0076-0077. . Retrieved 2019/07/04.