Ethyl 3-(cyclopropylamino)prop-2-enoate

Base Information

• Chemical Name: Ethyl 3-(cyclopropylamino)prop-2-enoate
• CAS No.: 96568-08-0
• Molecular Formula: C8H13 N O2
• Molecular Weight: 155.197
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID10699863
• Mol file: 96568-08-0.mol

Synonyms:Ethyl 3-(cyclopropylamino)prop-2-enoate;DTXSID10699863;ethyl beta-cyclopropylaminoacrylate;GCVNGUWEVLMYAJ-UHFFFAOYSA-N

Chemical Property of Ethyl 3-(cyclopropylamino)prop-2-enoate

Chemical Property:

• PSA: 38.33000
• LogP: 1.20610
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 155.094628657
• Heavy Atom Count: 11
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C=CNC1CC1

Technology Process of Ethyl 3-(cyclopropylamino)prop-2-enoate

There total 1 articles about Ethyl 3-(cyclopropylamino)prop-2-enoate 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:

Cyclopropylamine (765-30-0) + propynoic acid ethyl ester (623-47-2) → Ethyl 3-(Cyclopropylamino)-2-propenoate (96568-08-0)

Guidance literature:

In dichloromethane; for 16h; Heating;

DOI:10.1002/jhet.5570280709

Reference yield: 96.0%

2,4,5-trifluorobenzoyl chloride (88419-56-1) + Ethyl 3-(Cyclopropylamino)-2-propenoate (96568-08-0) → 3-Cyclopropylamino-2-(2,4,5-trifluorbenzoyl)acrylsaeure-ethylester (101799-76-2)

Guidance literature:

Ethyl 3-(Cyclopropylamino)-2-propenoate; With lithium hexamethyldisilazane; In toluene; at -78 ℃; for 0.5h;

2,4,5-trifluorobenzoyl chloride; In toluene; at 20 ℃; for 1h;

DOI:10.1021/acs.joc.8b03222

Reference yield: 94.0%

2,4,5-trifluorobenzoyl chloride (88419-56-1) + Ethyl 3-(Cyclopropylamino)-2-propenoate (96568-08-0) → ethyl 1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylate (98349-25-8)

Guidance literature:

Ethyl 3-(Cyclopropylamino)-2-propenoate; With lithium hexamethyldisilazane; In toluene; at -78 ℃; for 0.5h;

2,4,5-trifluorobenzoyl chloride; In toluene; at -78 - 20 ℃; for 2.16667h;

DOI:10.1021/acs.joc.8b03222

upstream raw materials:

Cyclopropylamine

propynoic acid ethyl ester

Downstream raw materials:

Ethyl 3-(Cyclopropylamino)-2-<(2,3,4,5-tetrafluorophenyl)thio>-2-propenoate

Ethyl 3-(Cyclopropylamino)-2-<(2,3,4,5-tetrafluorophenyl)sulfinyl>-2-propenoate

Ethyl 3-(Cyclopropylamino)-2-<(2,3,4,5-tetrafluorophenyl)sulfonyl>-2-propenoate

3-Cyclopropylamino-2-(2,4,5-trifluorbenzoyl)acrylsaeure-ethylester