Carbamic acid, ((p-nitrophenyl)sulfonyl)-, methyl ester

Base Information

• Chemical Name: Carbamic acid, ((p-nitrophenyl)sulfonyl)-, methyl ester
• CAS No.: 3337-70-0
• Molecular Formula: C8H8 N2 O6 S
• Molecular Weight: 260.227
• Hs Code.: 2935009090
• European Community (EC) Number: 222-076-6
• DSSTox Substance ID: DTXSID80186992
• Nikkaji Number: J12.968B
• Wikidata: Q83058483
• Mol file: 3337-70-0.mol

Synonyms:3337-70-0;Methyl N-(4-nitrobenzenesulphonyl)carbamate;Carbamic acid, ((p-nitrophenyl)sulfonyl)-, methyl ester;EINECS 222-076-6;MB 8882;BRN 2150238;Methyl ((4-nitrophenyl)sulphonyl)carbamate;METHYL [(4-NITROPHENYL)SULPHONYL]CARBAMATE;Carbamic acid, ((4-nitrophenyl)sulfonyl)-, methyl ester;Carbamic acid, [(4-nitrophenyl)sulfonyl]-, methyl ester;Carbamic acid, [(p-nitrophenyl)sulfonyl]-, methyl ester;methyl N-(4-nitrophenyl)sulfonylcarbamate;SCHEMBL9815588;DTXSID80186992;AKOS001590041;MB-8882;methyl (4-nitrophenyl)sulfonylcarbamate;LS-50439;SR-01000397673;SR-01000397673-1;[(4-Nitrophenyl)sulfonyl]carbamic acid, Methyl ester

Chemical Property of Carbamic acid, ((p-nitrophenyl)sulfonyl)-, methyl ester

Chemical Property:

• Melting Point: 151°C
• Refractive Index: 1.5690 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 130.16000
• Density: 1.514g/cm³
• LogP: 2.44790
• Water Solubility.: 999mg/L(temperature not stated)
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 260.01030715
• Heavy Atom Count: 17
• Complexity: 387

Purity/Quality:

99% ^*data from raw suppliers

CARBAMICACID,[(4-NITROPHENYL)SULFONYL]-,METHYLESTER(9Cl) 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of Carbamic acid, ((p-nitrophenyl)sulfonyl)-, methyl ester

There total 3 articles about Carbamic acid, ((p-nitrophenyl)sulfonyl)-, 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: 55.0%

p-nitrobenzenesulfonamide (6325-93-5) + methyl chloroformate (79-22-1) → methyl ((4-nitrophenyl)sulfonyl)carbamate (3337-70-0)

Guidance literature:

p-nitrobenzenesulfonamide; With triethylamine; In dichloromethane; at 0 ℃; for 0.166667h;

methyl chloroformate; In dichloromethane; at 0 - 20 ℃; for 2.5h;

DOI:10.1016/j.tetlet.2016.02.071

Reference yield:

methanol (67-56-1) + 4-nitrobenzenesulfonyl isocyanate (5769-16-4) → methyl ((4-nitrophenyl)sulfonyl)carbamate (3337-70-0)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/ja903939k

Reference yield:

→ methyl ((4-nitrophenyl)sulfonyl)carbamate (3337-70-0)

Guidance literature:

4-Nitro-benzolsulfonamid, Chlorkohlensaeuremethylester;

upstream raw materials:

methanol

4-nitrobenzenesulfonyl isocyanate

p-nitrobenzenesulfonamide

methyl chloroformate

Downstream raw materials:

(E)-methyl 3-cyclohexylallyl(4-nitrophenylsulfonyl)carbamate

C₂₂H₁₇ClN₄O₅S

C₂₂H₁₆Cl₂N₄O₄S

C₂₆H₂₆ClN₅O₄S

Refernces

• 1、 Reed, Sean A.,Mazzotti, Anthony R.,White, M. Christina. "A catalytic, Bronsted base strategy for intermolecular allylic C-H amination". supporting information; experimental part. p. 11701 - 11706. Retrieved 2009/12/08.