Methyl 3-(N-(2-methoxy-2-oxoethyl)sulfamoyl)thiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 3-(N-(2-methoxy-2-oxoethyl)sulfamoyl)thiophene-2-carboxylate
• CAS No.: 106820-63-7
• Molecular Formula: C9H11NO6S2
• Molecular Weight: 293.321
• Hs Code.: 2935009090
• European Community (EC) Number: 600-780-8
• DSSTox Substance ID: DTXSID90352060
• Nikkaji Number: J1.876.542J
• Wikidata: Q72492571
• Mol file: 106820-63-7.mol

Synonyms:106820-63-7;Methyl 3-(N-(2-methoxy-2-oxoethyl)sulfamoyl)thiophene-2-carboxylate;methyl 3-[(methoxycarbonylmethyl)sulfamoyl]thiophene-2-carboxylate;methyl 3-[(2-methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylate;Methyl N-(methoxycarbonylmethyl)-3-sulfamoyl-2-thiophenecarboxylate;C9H11NO6S2;methyl-n-(methoxycarbonylmethyl)-3-sulfamoylthiophene-2-carboxylate;methyl 3-(methoxycarbonylmethyl-sulfamoyl)thiophene-2-carboxylate;methyl 3-[(methoxycarbonyl)methyl]sulphamoylthiophene-2-carboxylate;EC 600-780-8;Methyl 3-{[(2-methoxy-2-oxoethyl)amino]-sulfonyl}thiophene-2-carboxylate;3-Sulfonyl amino methyl acetate-2-methyl carboxylatethiophene;methyl 3-((methoxycarbonylmethyl)sulfamoyl)thiophene-2-carboxylate;Methyl 3-{[(2-Methoxy-2-oxoethyl)amino]sulfonyl}thiophene-2-carboxylate;2-Thiophenecarboxylic acid, 3-(((2-methoxy-2-oxoethyl)amino)sulfonyl)-, methyl ester;2-Thiophenecarboxylic Acid, 3-[[(2-Methoxy-2-Oxoethyl)Amino]Sulfonyl]-, Methyl Ester;Maybridge4_000790;Oprea1_433716;Methyl-N-(methoxycarbonyl methyl)-3-sulfamoyl Thio;DTXSID90352060;HMS1523D20;BCP12608;MFCD01570165;STK742069;AKOS002291921;AC-8137;CCG-242463;IDI1_031372;TS-01062;CS-0187482;FT-0642631;D95772;A801513;Methyl N-(methoxycarbonylmethyl)-3-sulfamoyl-2thiophenecarboxylate;Methyl3-(N-(2-methoxy-2-oxoethyl)sulfamoyl)thiophene-2-carboxylate;3-[(2-methoxy-2-oxoethyl)sulfamoyl]-2-thiophenecarboxylic acid methyl ester;methyl 3-{[(2-methoxy-2-oxoethyl)amino]sulfonyl}-2-thiophenecarboxylate;3-[N-(2-Methoxy-2-oxoethyl)sulfamoyl]thiophene-2-carboxylic acid methyl ester;methyl 3-[(2-methoxy-2-oxidanylidene-ethyl)sulfamoyl]thiophene-2-carboxylate

Chemical Property of Methyl 3-(N-(2-methoxy-2-oxoethyl)sulfamoyl)thiophene-2-carboxylate

Chemical Property:

• Vapor Pressure: 2.27E-08mmHg at 25°C
• Melting Point: 96-98 °C
• Refractive Index: 1.542
• Boiling Point: 452.3 °C at 760 mmHg
• PKA: 8.24±0.50(Predicted)
• Flash Point: 227.4 °C
• PSA: 135.39000
• Density: 1.438 g/cm³
• LogP: 1.45770
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 293.00277942
• Heavy Atom Count: 18
• Complexity: 415

Purity/Quality:

99% ^*data from raw suppliers

MethylN-(Methoxycarbonylmethyl)-3-sulfamoyl-2-thiophenecarboxylate ^*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=C(SC=C1)C(=O)OC

Technology Process of Methyl 3-(N-(2-methoxy-2-oxoethyl)sulfamoyl)thiophene-2-carboxylate

There total 3 articles about Methyl 3-(N-(2-methoxy-2-oxoethyl)sulfamoyl)thiophene-2-carboxylate 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: 92.3%

glycine ethyl ester hydrochloride (5680-79-5,883886-67-7) + 2-(carbomethoxy)thiophene-3-sulfonyl chloride (59337-92-7) → methyl 3-<<<(methoxcarbonyl)methyl>amino>sulfonyl>-2-thiophenecarboxylate (106820-63-7)

Guidance literature:

In water; at 20 ℃; for 6h; pH=7 - 8; pH-value; Concentration;

Reference yield:

3-chlorothiophene-2-carboxylic acid (59337-89-2) → methyl 3-<<<(methoxcarbonyl)methyl>amino>sulfonyl>-2-thiophenecarboxylate (106820-63-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 210 g / 1.) sodium bisulfite, NaOH, CuCl, 2.) KCl / H₂O / 16 h / 143 °C

2: POCl₃, PCl₅ / 1.5 h / Heating

3: 95 percent / CHCl₃ / 3 h / Heating

4: 71 percent / pyridine / 4 h / Ambient temperature

With pyridine; sodium hydroxide; phosphorus pentachloride; potassium chloride; sodium hydrogensulfite; copper(l) chloride; trichlorophosphate; In chloroform; water;

DOI:10.1021/jm00387a017

Reference yield:

3-chlorosulfonyl-thiophene-2-carboxylic acid chloride (59337-91-6) → methyl 3-<<<(methoxcarbonyl)methyl>amino>sulfonyl>-2-thiophenecarboxylate (106820-63-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / CHCl₃ / 3 h / Heating

2: 71 percent / pyridine / 4 h / Ambient temperature

With pyridine; In chloroform;

DOI:10.1021/jm00387a017

upstream raw materials:

glycine ethyl ester hydrochloride

2-(carbomethoxy)thiophene-3-sulfonyl chloride

3-chlorothiophene-2-carboxylic acid

3-chlorosulfonyl-thiophene-2-carboxylic acid chloride

Downstream raw materials:

4-hydroxy-3-methoxycarbonyl-2-methyl-2H-thieno[2,3-e]-1,2-thiazine,1,1-dioxide

4-Hydroxy-2-(4-methoxy-benzyl)-1,1-dioxo-1,2-dihydro-1λ⁶-thieno[2,3-e][1,2]thiazine-3-carboxylic acid pyridin-2-ylamide

methyl 4-hydroxy-2-<(4-methoxyphenyl)methyl>-2H-thieno<2,3-e>-1,2-thiazine-3-carboxylate 1,1-dioxide

N-(3-chlorophenyl)-4-hydroxy-2-methyl-2H-thieno[2,3-e][1,2]thiazine-3-carboxamide 1,1-dioxide

Refernces

• 1、 -. "Preparation method of tenoxicam". Paragraph 0041-0045; 0063; 0067; 0073; 0077; 0083; 0087. . Retrieved 2017/10/26.