5-(4-Nitrophenyl)thiophene-2-carboxylic acid methyl ester

Base Information

Chemical Name:5-(4-Nitrophenyl)thiophene-2-carboxylic acid methyl ester
CAS No.:61100-12-7
Molecular Formula:C12H9NO4S
Molecular Weight:263.27
Hs Code.:2934999090
DSSTox Substance ID:DTXSID00487978
Wikidata:Q82330346
Mol file:61100-12-7.mol

Synonyms:61100-12-7;5-(4-NITROPHENYL)THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER;Methyl 5-(4-nitrophenyl)thiophene-2-carboxylate;DTXSID00487978;FT-0619671

Suppliers and Price of 5-(4-Nitrophenyl)thiophene-2-carboxylic acid methyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 5-(4-Nitrophenyl)thiophene-2-carboxylic acid methyl ester

Chemical Property:

PSA：100.36000
LogP:3.63310
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:263.02522894
Heavy Atom Count:18
Complexity:323

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=C(S1)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 5-(4-Nitrophenyl)thiophene-2-carboxylic acid methyl ester

There total 7 articles about 5-(4-Nitrophenyl)thiophene-2-carboxylic acid 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: 74.0%

: 106098-23-1
(Z)-3-chloro-3-(4-nitrophenyl)acrylaldehyde

: 2365-48-2
Methyl thioglycolate

: 61100-12-7
methyl 5-(4-nitrophenyl)thiophene-2-carboxylate

Guidance literature:: With potassium carbonate; In acetonitrile; for 0.0833333h; microwave irradiation;

Reference yield:

: 59156-21-7
2-(4-nitrophenyl)thiophene

: 61100-12-7
methyl 5-(4-nitrophenyl)thiophene-2-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: AlCl₃ / CHCl₃ / 24 h / Ambient temperature

2: 1.) 5percent KOH, 2.) 33percent H₂O₂ / 1.) ethanol, reflux, 1 h, 2.) water, reflux, 1 h

3: 0.51 g / diethyl ether

With potassium hydroxide; aluminium trichloride; dihydrogen peroxide; In diethyl ether; chloroform;
DOI:10.1021/jo00348a016

Reference yield:

: 1052113-14-0
[5-(4-Nitro-phenyl)-thiophen-2-yl]-oxo-acetic acid ethyl ester

: 61100-12-7
methyl 5-(4-nitrophenyl)thiophene-2-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) 5percent KOH, 2.) 33percent H₂O₂ / 1.) ethanol, reflux, 1 h, 2.) water, reflux, 1 h

2: 0.51 g / diethyl ether

With potassium hydroxide; dihydrogen peroxide; In diethyl ether;
DOI:10.1021/jo00348a016