N-(Phenylsulfonyl)glycine Methyl Ester

Base Information

• Chemical Name: N-(Phenylsulfonyl)glycine Methyl Ester
• CAS No.: 69398-48-7
• Molecular Formula: C9H11NO4S
• Molecular Weight: 229.257
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID30408797
• Nikkaji Number: J851.546H
• Wikidata: Q82214393
• Mol file: 69398-48-7.mol

Synonyms:N-(Phenylsulfonyl)glycine Methyl Ester;69398-48-7;Methyl 2-(phenylsulfonamido)acetate;methyl 2-(benzenesulfonamido)acetate;MFCD00545497;Glycine, N-(phenylsulfonyl)-, methyl ester;methyl 2-benzenesulfonamidoacetate;N-(Phenylsulfonyl)glycineMethylEster;SCHEMBL3239227;DTXSID30408797;QKASBYGZWRFVMK-UHFFFAOYSA-N;AMY20648;AKOS002315147;N-(phenylsulphonyl)glycine methyl ester;AS-31884;SY011670;N-(methoxycarbonylmethyl)benzenesulfonamide;Benzenesulfonylamino-acetic acid methyl ester;CS-0150678;EU-0034127;FT-0754667;A866842;SR-01000394704;SR-01000394704-1

Chemical Property of N-(Phenylsulfonyl)glycine Methyl Ester

Chemical Property:

• PSA: 80.85000
• LogP: 1.60960
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 229.04087901
• Heavy Atom Count: 15
• Complexity: 301

Purity/Quality:

98%min ^*data from raw suppliers

N-(Phenylsulfonyl)glycineMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CNS(=O)(=O)C1=CC=CC=C1

Technology Process of N-(Phenylsulfonyl)glycine Methyl Ester

There total 4 articles about N-(Phenylsulfonyl)glycine 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: 80.0%

methanol (67-56-1) + N-phenylsulfonylglycine (5398-96-9) → N-Phenylsulfonylglycine methyl ester (69398-48-7)

Guidance literature:

With thionyl chloride; at 20 ℃; for 3h;

Reference yield: 67.0%

methanol (67-56-1) + N-allylbenzenesulfonamide (50487-70-2) → N-Phenylsulfonylglycine methyl ester (69398-48-7)

Guidance literature:

With sodium hydroxide; ozone; In dichloromethane; at -78 ℃; for 2.5h;

DOI:10.1039/a606586d

Reference yield:

glycine ethyl ester hydrochloride (5680-79-5,883886-67-7) + benzenesulfonyl chloride (98-09-9) → N-Phenylsulfonylglycine methyl ester (69398-48-7)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1016/S0040-4020(00)01030-9

upstream raw materials:

methanol

N-phenylsulfonylglycine

N-allylbenzenesulfonamide

glycine ethyl ester hydrochloride

Downstream raw materials:

phenylsulfonylaminoacetic acid hydrazide

N-methoxycarbonylmethyl-N-trichloromethylthiobenzenesulfonamide

3-[(benzenesulfonyl(methoxycarbonylmethyl)amino)methyl]-6-methylpyridine-2-carboxylicacid isopropyl ester

N-((E)-4-Oxo-pent-2-enyl)-N-((E)-3-phenyl-allyl)-benzenesulfonamide

Refernces

• 1、 Casaschi, Adele,Grigg, Ronald,Sansano. "Palladium catalysed tandem cyclisation-anion capture. Part 7: Synthesis of derivatives of α-amino esters, nitrogen heterocycles and β-aryl/heteroaryl ethylamines via in situ generated vinylstannanes". . p. 607 - 615. Retrieved 2007/10/03.
• 2、 -. "Fungicidal, miticidal and ovicidal alkoxycarbonylalkyl-substituted and carbamylalkyl-substituted N-haloalkylthiosulfonamides". . . Retrieved 2008/06/13.