2-Propenoic acid, 3-amino-3-ethoxy-, ethyl ester

Base Information

• Chemical Name: 2-Propenoic acid, 3-amino-3-ethoxy-, ethyl ester
• CAS No.: 39632-87-6
• Molecular Formula: C7H13NO3
• Molecular Weight: 159.185
• NSC Number: 128083
• DSSTox Substance ID: DTXSID901273441
• Nikkaji Number: J1.567.441E,J404.462B
• Mol file: 39632-87-6.mol

Synonyms:39632-87-6;2-Propenoic acid, 3-amino-3-ethoxy-, ethyl ester;ethyl 3-amino-3-ethoxy-prop-2-enoate;NSC128083;3-AMINO-3-ETHOXYACRYLIC ACID ETHYL ESTER;ethyl (E)-3-amino-3-ethoxyprop-2-enoate;ethyl-3-amino-3-ethoxyacrylate;SCHEMBL12602888;XLTPBSBNLKQLHB-AATRIKPKSA-N;DTXSID901273441;NSC-128083;109831-72-3;Ethyl (2E)-3-amino-3-ethoxy-2-propenoate;(E)-3-Amino-3-ethoxyacrylic acid ethyl ester

Chemical Property of 2-Propenoic acid, 3-amino-3-ethoxy-, ethyl ester

Chemical Property:

• Vapor Pressure: 0.0114mmHg at 25°C
• Boiling Point: 261.7°C at 760 mmHg
• Flash Point: 118.7°C
• Density: 1.054g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 159.08954328
• Heavy Atom Count: 11
• Complexity: 154

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=CC(=O)OCC)N
• Isomeric SMILES: CCO/C(=C/C(=O)OCC)/N

Technology Process of 2-Propenoic acid, 3-amino-3-ethoxy-, ethyl ester

There total 2 articles about 2-Propenoic acid, 3-amino-3-ethoxy-, 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:

ethanol (64-17-5) + ethyl 2-cyanoacetate (105-56-6) → ethyl 3-amino-3-ethoxypropenoate (39632-87-6)

Guidance literature:

ethanol; ethyl 2-cyanoacetate; With hydrogenchloride; In diethyl ether; at 0 ℃;

With water; potassium carbonate;

DOI:10.1016/j.bmcl.2016.04.038

Reference yield:

→ ethyl 3-amino-3-ethoxypropenoate (39632-87-6)

Guidance literature:

DOI:10.1248/yakushi1947.99.4_342

Reference yield: 89.0%

p-toluic hydrazide (3619-22-5) + ethyl 3-amino-3-ethoxypropenoate (39632-87-6) → 3-Amino-3-[(4-methyl-benzoyl)-hydrazono]-propionic acid ethyl ester (197655-19-9)

Guidance literature:

In ethanol; at 70 ℃; for 0.0833333h;

DOI:10.1002/jhet.5570340432

upstream raw materials:

ethanol

ethyl 2-cyanoacetate

Downstream raw materials:

3-amino-1-phenyl-5-pyrazolone

5-amino-1-methyl-1,2-dihydropyrazol-3-one

5-amino-2-methyl-1,2-dihydropyrazol-3-one

5-amino-1,2-dihydropyrazol-3-one