Ethyl 3-(methylamino)-2-butenoate

Base Information

• Chemical Name: Ethyl 3-(methylamino)-2-butenoate
• CAS No.: 870-85-9
• Molecular Formula: C7H13NO2
• Molecular Weight: 143.186
• Hs Code.: 2922499990
• NSC Number: 61982
• DSSTox Substance ID: DTXSID801283063
• Nikkaji Number: J1.224.996I
• Mol file: 870-85-9.mol

Synonyms:Ethyl 3-(methylamino)-2-butenoate;870-85-9;Ethyl 3-(methylamino)crotonate;ethyl (E)-3-(methylamino)but-2-enoate;21759-71-7;(E)-Ethyl 3-(methylamino)but-2-enoate;Ethyl .beta.-(methylamino)crotonate;Crotonic acid, 3-(methylamino)-, ethyl ester;3-(Methylamino)-2-butenoic acid ethyl ester;ethyl b-methylaminocrotonate;SCHEMBL24793666;FARYTWBWLZAXNK-AATRIKPKSA-N;DTXSID801283063;ethyl 3-(methylamino)but-2-enoate;NSC61982;NSC-61982;AKOS000280700;CS-11344;Ethyl (2E)-3-(methylamino)-2-butenoate;3-(Methylamino)isocrotonic acid ethyl ester;LS-191272;Ethyl (2E)-3-(methylamino)-2-butenoate #;EN300-98112;A841946

Chemical Property of Ethyl 3-(methylamino)-2-butenoate

Chemical Property:

• Appearance/Colour: Oil
• Vapor Pressure: 0.22mmHg at 25°C
• Refractive Index: 1.443
• Boiling Point: 207.9 °C at 760 mmHg
• PKA: 5.78±0.70(Predicted)
• Flash Point: 79.5 °C
• PSA: 38.33000
• Density: 0.955 g/cm³
• LogP: 1.06360
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 143.094628657
• Heavy Atom Count: 10
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

Ethyl3-(methylamino)-2-butenoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C=C(C)NC
• Isomeric SMILES: CCOC(=O)/C=C(\C)/NC

Technology Process of Ethyl 3-(methylamino)-2-butenoate

There total 4 articles about Ethyl 3-(methylamino)-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:

diethyl 2,4-diacetylpentanedioate (67079-26-9) + methylamine (74-89-5) → 4-methyl-6-methylamino-isophthalic acid diethyl ester (859963-68-1) + ethyl 3-methylaminocrotonate (870-85-9)

Guidance literature:

With ethanol;

DOI:10.1002/ardp.19432810206

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + ethyl acetoacetate (141-97-9) + methylamine (74-89-5) → 4-methyl-6-methylamino-isophthalic acid diethyl ester (859963-68-1) + ethyl 3-methylaminocrotonate (870-85-9)

Guidance literature:

With ethanol;

DOI:10.1002/ardp.19432810206

Reference yield:

ethanol (64-17-5) + diethyl 2,4-diacetylpentanedioate (67079-26-9) + methylamine (74-89-5) → 4-methyl-6-methylamino-isophthalic acid diethyl ester (859963-68-1) + ethyl 3-methylaminocrotonate (870-85-9)

Guidance literature:

upstream raw materials:

formaldehyd

ethanol

ethyl acetoacetate

methylamine

Downstream raw materials:

1,2,6-trimethyl-4-phenyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester

N-(4-acetylamino-benzenesulfonyl)-2-(1-methylamino-ethylidene)-3-thio-malonamic acid ethyl ester

2-(2-Hydroxy-4-nitro-phenyl-hydrazono)-3-methyliminobuttersaeureethylester

2-(2-Hydroxy-3-chlor-5-nitro-phenyl-hydrazono)-3-methyl-imino-buttersaeureaethylester