Methyl 1-tosyl-1H-pyrrole-3-carboxylate

Base Information

• Chemical Name: Methyl 1-tosyl-1H-pyrrole-3-carboxylate
• CAS No.: 212071-00-6
• Molecular Formula: C₁₃H₁₃NO₄S
• Molecular Weight: 279.317
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20571166
• Nikkaji Number: J3.596.411H
• Wikidata: Q82458792
• Mol file: 212071-00-6.mol

Synonyms:METHYL 1-TOSYL-1H-PYRROLE-3-CARBOXYLATE;212071-00-6;methyl 1-(4-methylphenyl)sulfonylpyrrole-3-carboxylate;methyl 1-(4-methylbenzenesulfonyl)-1H-pyrrole-3-carboxylate;METHYL1-TOSYL-1H-PYRROLE-3-CARBOXYLATE;SCHEMBL4501807;DTXSID20571166;DFOVPGKRRVEJGG-UHFFFAOYSA-N;MFCD09743411;AKOS015945079;SB62133;BS-27896;Methyl 1-(p-Tolylsulfonyl)pyrrole-3-carboxylate;Methyl 1-(4-methylbenzene-1-sulfonyl)-1H-pyrrole-3-carboxylate

Chemical Property of Methyl 1-tosyl-1H-pyrrole-3-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 441.248oC at 760 mmHg
• Flash Point: 220.659oC
• PSA: 73.75000
• Density: 1.281g/cm3
• LogP: 2.90090
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 279.05652907
• Heavy Atom Count: 19
• Complexity: 420

Purity/Quality:

99% ^*data from raw suppliers

Methyl1-tosyl-1H-pyrrole-3-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=O)OC

Technology Process of Methyl 1-tosyl-1H-pyrrole-3-carboxylate

There total 6 articles about Methyl 1-tosyl-1H-pyrrole-3-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: 100.0%

methyl 1H-pyrrole-3-carboxylate (2703-17-5) + p-toluenesulfonyl chloride (98-59-9) → methyl 2-[1-(p-tolylsulfonyl)pyrrol-3-yl]acetate (212071-00-6)

Guidance literature:

methyl 1H-pyrrole-3-carboxylate; With tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide; In dichloromethane; at 20 ℃; for 0.166667h; Inert atmosphere;

p-toluenesulfonyl chloride; In dichloromethane; at 20 ℃; for 48h; Inert atmosphere;

DOI:10.1021/acs.orglett.9b02250

Reference yield: 14.0%

2-Furan-2-yl-1-(toluene-4-sulfonyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid methyl ester (190272-69-6) → methyl 2-[1-(p-tolylsulfonyl)pyrrol-3-yl]acetate (212071-00-6)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In benzene; at 130 ℃;

DOI:10.1016/S0040-4039(97)00656-4

Reference yield: 14.0%

2-((E)-Styryl)-1-(toluene-4-sulfonyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid methyl ester → methyl 2-[1-(p-tolylsulfonyl)pyrrol-3-yl]acetate (212071-00-6)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In benzene; at 130 ℃;

DOI:10.1021/jo9723063

upstream raw materials:

2-Furan-2-yl-1-(toluene-4-sulfonyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid methyl ester

methyl buta-2,3-dienoate

(E)-N-(furan-2-ylmethylene)-4-methylbenzenesulfonamide

4-methyl-N-((1E,2E)-3-phenylallylidene)benzenesulfonamide

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