beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester

Base Information

• Chemical Name: beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester
• CAS No.: 53935-67-4
• Molecular Formula: C13H24ClNO4
• Molecular Weight: 293.787
• Hs Code.: 2922499990
• European Community (EC) Number: 633-396-4
• DSSTox Substance ID: DTXSID2068892
• Nikkaji Number: J429.231F
• Wikidata: Q81995655
• Mol file: 53935-67-4.mol

Synonyms:53935-67-4;beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester;.beta.-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester;Diethyl N-(3-chloropropyl)imino-3,3'-dipropionate;C13H24ClNO4;DTXSID2068892;C13-H24-Cl-N-O4;diethyl 3,3'-[(3-chloropropyl)imino]dipropanoate;.beta.-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethylester;N-(3-Chloropropyl)-N-(3-ethoxy-3-oxopropyl)-beta-alanine ethyl ester

Chemical Property of beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester

Chemical Property:

• Boiling Point: 367.8°Cat760mmHg
• PKA: 7.40±0.50(Predicted)
• Flash Point: 176.2°C
• PSA: 55.84000
• Density: 1.093g/cm³
• LogP: 1.82370
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 13
• Exact Mass: 293.1393859
• Heavy Atom Count: 19
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCN(CCCCl)CCC(=O)OCC

Technology Process of beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester

There total 1 articles about beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl 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:

propan-1-ol-3-amine (156-87-6) + ethyl acrylate (140-88-5,9003-32-1) → Diethyl-N-<3-chlor-propyl>-3,3'-iminopropionat (53935-67-4)

Guidance literature:

Multistep reaction; (i), (ii) SOCl₂, DMF, CHCl₃;

DOI:10.1021/jo01279a073

upstream raw materials:

propan-1-ol-3-amine

ethyl acrylate