Methyl 2-(N-benzylformamido)acetate

Base Information

• Chemical Name: Methyl 2-(N-benzylformamido)acetate
• CAS No.: 123017-47-0
• Molecular Formula: C11H13NO3
• Molecular Weight: 207.229
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90455045
• Wikidata: Q82276889
• Mol file: 123017-47-0.mol

Synonyms:Methyl 2-(N-benzylformamido)acetate;123017-47-0;methyl 2-[benzyl(formyl)amino]acetate;Methyl2-(N-benzylformamido)acetate;DTXSID90455045;AKOS014324723;FT-0719641;N-formyl-N-(phenylmethyl)-glycine methyl ester;A890865

Chemical Property of Methyl 2-(N-benzylformamido)acetate

Chemical Property:

• PSA: 46.61000
• LogP: 1.45390
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 207.08954328
• Heavy Atom Count: 15
• Complexity: 212

Purity/Quality:

98%min ^*data from raw suppliers

Methyl2-(N-benzylformamido)acetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CN(CC1=CC=CC=C1)C=O

Technology Process of Methyl 2-(N-benzylformamido)acetate

There total 4 articles about Methyl 2-(N-benzylformamido)acetate 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: 92.0%

formic acid (64-18-6) + methyl 2-(benzylamino)acetate (53386-64-4) → N-benzyl,N-formylglycine methylester (123017-47-0)

Guidance literature:

With acetic anhydride; In water; at 100 ℃; for 1h;

DOI:10.1002/jlcr.507

Reference yield: 90.0%

carbon dioxide (124-38-9,18923-20-1) + methyl 2-(benzylamino)acetate (53386-64-4) → N-benzyl,N-formylglycine methylester (123017-47-0)

Guidance literature:

With CF₃O₃S^(1-)*C₂₅H₄₂N₆Rh⁽¹⁺⁾; diphenylsilane; In dichloromethane; at 25 ℃; for 24h; under 19001.3 Torr; High pressure; Autoclave;

DOI:10.1002/anie.201504072

Reference yield:

methanol (67-56-1) + 2-(benzylamino)acetonitrile hydrochloride (63086-36-2) → N-benzyl,N-formylglycine methylester (123017-47-0)

Guidance literature:

With hydrogenchloride; und Behandeln des Reaktionsprodukts mit Natriumformiat und Ameisensaeure und anschliessend mit Acetanhydrid;

DOI:10.1021/ja01170a072

upstream raw materials:

methanol

2-(benzylamino)acetonitrile hydrochloride

formic acid

methyl 2-(benzylamino)acetate

Downstream raw materials:

methyl 1-benzyl-2-mercapto-5-imidazolecarboxylate

methyl 1-benzyl-1H-imidazole-5-carboxylate

1-benzyl-5-hydroxymethylimidazole

Refernces

• 1、 Soede-Huijbregts,Van Laren,Hulsbergen,Raap,Lugtenburg. "Improved specific synthesis of [1′-15N]- and [3′-15N]L-histidine". . p. 831 - 841. Retrieved 2007/10/03.