Methyl 2-formamidoprop-2-enoate

Base Information

• Chemical Name: Methyl 2-formamidoprop-2-enoate
• CAS No.: 44804-84-4
• Molecular Formula: C₅H₇NO₃
• Molecular Weight: 129.115
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID70467580
• Nikkaji Number: J545.435B
• Wikidata: Q82294592
• Mol file: 44804-84-4.mol

Synonyms:44804-84-4;Methyl 2-formamidoprop-2-enoate;CALCIUMSENNOSIDE;2-FORMYLAMINO-ACRYLIC ACID METHYL ESTER;methyl 2-(formylamino)acrylate;SCHEMBL14301050;DTXSID70467580;AKOS006329620

Chemical Property of Methyl 2-formamidoprop-2-enoate

Chemical Property:

• PSA: 58.89000
• LogP: 0.25940
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 129.042593085
• Heavy Atom Count: 9
• Complexity: 141

Purity/Quality:

99%min ^*data from raw suppliers

2-FORMYLAMINO-ACRYLIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C(=C)NC=O

Technology Process of Methyl 2-formamidoprop-2-enoate

There total 2 articles about Methyl 2-formamidoprop-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: 36.0%

Methyl 2-formamido-2-(trimethylsiloxy)propanoate (109053-95-4) → 2-(formamido)acrylic acid methyl ester (44804-84-4) + methyl 2-(2-cyclohexenyl)-2-(formylamino)propanoate

Guidance literature:

With trimethylsilyl trifluoromethanesulfonate; 3-(trimethylsilyl)cyclohexene; In dichloromethane; 1.) -78 deg C, 15 min, 2.) r.t., 2 h;

DOI:10.1021/jo00064a011

Reference yield: 32.0%

3-(trimethylsilyl)cyclohexene (40934-71-2) + Methyl 2-formamido-2-(trimethylsiloxy)propanoate (109053-95-4) → 2-(formamido)acrylic acid methyl ester (44804-84-4) + methyl 2-(2-cyclohexenyl)-2-(formylamino)propanoate

Guidance literature:

With trimethylsilyl trifluoromethanesulfonate; In dichloromethane; 1.) -78 deg C, 15 min, 2.) r.t., 5 d;

DOI:10.1021/jo00064a011

Reference yield: 100.0%

2-(formamido)acrylic acid methyl ester (44804-84-4) → N-formyl-D,L-alanine methyl ester (44804-83-3)

Guidance literature:

With hydrogen; for 0.00277778h;

DOI:10.1021/acs.jpca.5b06802

upstream raw materials:

3-(trimethylsilyl)cyclohexene

Methyl 2-formamido-2-(trimethylsiloxy)propanoate

Downstream raw materials:

(E)-2-(formamido)cinnamic acid methyl ester

(Z)-N-Formyldehydrophenylalanin-methylester

C₁₁H₁₁NO₃

methyl isoquinoline-3-carboxylate

Refernces