Benzeneacetic acid, alpha-[(methylsulfonyl)amino]-, methyl ester

Base Information

• Chemical Name: Benzeneacetic acid, alpha-[(methylsulfonyl)amino]-, methyl ester
• CAS No.: 1250707-60-8
• Molecular Formula: C₁₀H₁₃NO₄S
• Molecular Weight: 243.284
• DSSTox Substance ID: DTXSID401187033
• Mol file: 1250707-60-8.mol

Synonyms:SCHEMBL21279895;DTXSID401187033;AKOS006227430;Z959289962;Benzeneacetic acid, alpha-[(methylsulfonyl)amino]-, methyl ester;1250707-60-8

Chemical Property of Benzeneacetic acid, alpha-[(methylsulfonyl)amino]-, methyl ester

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 243.05652907
• Heavy Atom Count: 16
• Complexity: 327

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Benzeneacetic acid, alpha-[(methylsulfonyl)amino]-, methyl ester

There total 2 articles about Benzeneacetic acid, alpha-[(methylsulfonyl)amino]-, methyl 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: 65.0%

methanesulfonamide (3144-09-0) + Methyl phenyldiazoacetate (22979-35-7) → methyl 2-(methylsulfonamido)-2-phenylacetate (1250707-60-8)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 20 ℃; for 12h; Reagent/catalyst; Concentration; Solvent; Irradiation;

DOI:10.1016/j.tet.2020.131316

Reference yield:

N-methylsulphonyl-D,L-α-phenylglycine (90774-44-0) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 2-(methylsulfonamido)-2-phenylacetate (1250707-60-8)

Guidance literature:

With N-benzylmethanesulfonamide; In methanol; diethyl ether;

DOI:10.1002/chem.201202332

upstream raw materials:

N-methylsulphonyl-D,L-α-phenylglycine

diazomethyl-trimethyl-silane

methanesulfonamide

Methyl phenyldiazoacetate