Methyl 2-formamidoacetate

Base Information

• Chemical Name: Methyl 2-formamidoacetate
• CAS No.: 3154-54-9
• Molecular Formula: C4H7 N O3
• Molecular Weight: 117.104
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID00399401
• Nikkaji Number: J3.336.474A
• Mol file: 3154-54-9.mol

Synonyms:Methyl 2-formamidoacetate;3154-54-9;N-Formylglycine methyl ester;MFCD00037081;Glycine, N-formyl-, methyl ester;N-Formylglycin-methylester;SCHEMBL2141079;DTXSID00399401;AKOS006223249;DS-5086;HY-W129341;Methyl 2-formamidoacetate (For-Gly-OMe);N-Formylglycine methyl ester, >=97.0%;CS-0187476;FT-0652783;EN300-130865;A820898;J-018459

Chemical Property of Methyl 2-formamidoacetate

Chemical Property:

• Vapor Pressure: 0.00415mmHg at 25°C
• Melting Point: 29-31 °C
• Refractive Index: 1.415
• Boiling Point: 90 °C0.2 mm Hg(lit.)
• PKA: 14.51±0.23(Predicted)
• Flash Point: 122.5oC
• PSA: 58.89000
• Density: 1.124g/cm3
• LogP: -0.25430
• Storage Temp.: 2-8°C
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 117.042593085
• Heavy Atom Count: 8
• Complexity: 91.3

Purity/Quality:

98%min ^*data from raw suppliers

Methyl2-formamidoacetate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)CNC=O

Technology Process of Methyl 2-formamidoacetate

There total 14 articles about Methyl 2-formamidoacetate 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: 100.0%

formamide (77287-34-4,77287-35-5,60100-09-6) + methoxycarbonylmethylamine (616-34-2) → methyl N-formylglycinate (3154-54-9)

Guidance literature:

With Iron(III) nitrate nonahydrate; In toluene; for 24h; Reflux;

DOI:10.1021/jo500562w

Reference yield: 93.0%

Methyl formate (107-31-3) + glycine ethyl ester hydrochloride (5680-79-5,883886-67-7) → methyl N-formylglycinate (3154-54-9)

Guidance literature:

With triethylamine; at 20 ℃; for 72h;

DOI:10.1021/jo052451d

Reference yield: 78.0%

Methyl formate (107-31-3) + methoxycarbonylmethylamine (616-34-2) → methyl N-formylglycinate (3154-54-9)

Guidance literature:

With triethylamine; at 20 ℃; for 72h;

upstream raw materials:

glycine ethyl ester hydrochloride

sodium formate

acetic anhydride

diazomethane

Downstream raw materials:

methyl 2-thioxo-1,3-dihydroimidazole-4-carboxylate

isocyanoacetic acid methyl ester

(Z)-N-formyl-α,β-dehydrotryptophan methyl ester

N-formyl-glycine hydrazide

Refernces

• 1、 ünver, M. Yagiz,Camacho, Carlos Jamie,D?mling, Alexander,Haupenthal, J?rg,Heine, Andreas,Hirsch, Anna K. H.,Jumde, Varsha R.,Klebe, Gerhard,Konstantinidou, Markella,Magari, Francesca,Sutanto, Fandi. "Rapid Discovery of Aspartyl Protease Inhibitors Using an Anchoring Approach". supporting information. . Retrieved 2020/04/10.
• 2、 -. "Optimized synthesis process of anticancer drug dacarbazine". Paragraph 0026; 0027. . Retrieved 2019/10/17.