Methyl 3-(cyclopropylamino)propanoate

Base Information

• Chemical Name: Methyl 3-(cyclopropylamino)propanoate
• CAS No.: 77497-84-8
• Molecular Formula: C₇H₁₃NO₂
• Molecular Weight: 143.186
• Hs Code.: 2922498590
• DSSTox Substance ID: DTXSID601291767
• Nikkaji Number: J3.182.123A
• Mol file: 77497-84-8.mol

Synonyms:methyl 3-(cyclopropylamino)propanoate;77497-84-8;MFCD11651272;Methyl3-(Cyclopropylamino)propanoate;SCHEMBL9805865;DTXSID601291767;CDA49784;AKOS008962739;N-Cyclopropyl-beta-alanine methyl ester;AS-32644;SY029092;CS-0150686;FT-0761112;EN300-863796;A865219

Chemical Property of Methyl 3-(cyclopropylamino)propanoate

Chemical Property:

• Boiling Point: 214.2±23.0 °C(Predicted)
• PKA: 8.09±0.20(Predicted)
• PSA: 38.33000
• Density: 1.04±0.1 g/cm3(Predicted)
• LogP: 0.69240
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 143.094628657
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

99% ^*data from raw suppliers

Methyl3-(Cyclopropylamino)propanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCNC1CC1

Technology Process of Methyl 3-(cyclopropylamino)propanoate

There total 3 articles about Methyl 3-(cyclopropylamino)propanoate 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: 92.0%

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) + Cyclopropylamine (765-30-0) → methyl 3-(cyclopropylamino)propionate (77497-84-8)

Guidance literature:

With Ps-AlCl₃; at 20 ℃; for 1.5h; chemoselective reaction;

DOI:10.1016/j.tet.2012.12.037

Reference yield:

Cyclopropylamine (765-30-0) + ethyl acrylate (140-88-5,9003-32-1) → methyl 3-(cyclopropylamino)propionate (77497-84-8)

Guidance literature:

In ethanol; at 20 ℃;

Reference yield:

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) + Cyclopropylamine (765-30-0) → 6-methoxycarbonyl-4,5-diazaspiro[2.4]hept-5-ene (194468-47-8) + methyl 3-(cyclopropylamino)propionate (77497-84-8)

Guidance literature:

With benzoic acid; isopentyl nitrite; In chloroform; at 5 ℃; for 40h; Title compound not separated from byproducts;

DOI:10.1023/B:RUCB.0000035655.90713.05

upstream raw materials:

acrylic acid methyl ester

Cyclopropylamine

ethyl acrylate

Refernces

• 1、 Badgujar, Kirtikumar C.,Bhanage, Bhalchandra M.. "Lipase immobilization on hyroxypropyl methyl cellulose support and its applications for chemo-selective synthesis of β-amino ester compounds". . p. 1420 - 1433. Retrieved 2016/10/03.
• 2、 -. "POLO-LIKE KINASE INHIBITORS". Page/Page column 166. . Retrieved 2009/06/27.