Octadecyl 3-amino-2-butenoate

Base Information

• Chemical Name: Octadecyl 3-amino-2-butenoate
• CAS No.: 20634-52-0
• Molecular Formula: C22H43NO2
• Molecular Weight: 353.589
• Hs Code.: 2922499990
• European Community (EC) Number: 243-930-4
• DSSTox Substance ID: DTXSID00942830
• Mol file: 20634-52-0.mol

Synonyms:20634-52-0;Octadecyl 3-amino-2-butenoate;EINECS 243-930-4;octadecyl 3-aminobut-2-enoate;DTXSID00942830

Chemical Property of Octadecyl 3-amino-2-butenoate

Chemical Property:

• Vapor Pressure: 1.01E-08mmHg at 25°C
• Boiling Point: 462.2°C at 760 mmHg
• PKA: 5.30±0.70(Predicted)
• Flash Point: 278.8°C
• PSA: 52.32000
• Density: 0.901g/cm³
• LogP: 7.35390
• XLogP3: 9.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 19
• Exact Mass: 353.329379614
• Heavy Atom Count: 25
• Complexity: 326

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCOC(=O)C=C(C)N

Technology Process of Octadecyl 3-amino-2-butenoate

There total 2 articles about Octadecyl 3-amino-2-butenoate 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:

1-octadecanol (112-92-5) → 3-amino-crotonic acid octadecyl ester (20634-52-0)

Guidance literature:

Multi-step reaction with 2 steps

2: ammonium acetate; methanol; NH₃

With ammonium acetate; methanol; ammonia;

DOI:10.1021/ja01153a045

Reference yield:

octadecyl 3-oxobutanoate (19150-71-1) → 3-amino-crotonic acid octadecyl ester (20634-52-0)

Guidance literature:

With ammonium acetate; methanol; ammonia;

DOI:10.1021/ja01153a045

upstream raw materials:

octadecyl 3-oxobutanoate

1-octadecanol