Methyl 5-methyl-4-nitrothiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 5-methyl-4-nitrothiophene-2-carboxylate
• CAS No.: 56921-01-8
• Molecular Formula: C7H7NO4S
• Molecular Weight: 201.203
• Hs Code.: 2934999090
• NSC Number: 108993
• DSSTox Substance ID: DTXSID20296382
• Wikidata: Q82036965
• Mol file: 56921-01-8.mol

Synonyms:methyl 5-methyl-4-nitrothiophene-2-carboxylate;56921-01-8;2-Thiophenecarboxylic acid, 5-methyl-4-nitro-, methyl ester;NSC108993;SCHEMBL426359;5-methyl-4-nitro-thiophene-2-carboxylic acid methyl ester;DTXSID20296382;AKOS000278636;AB75847;NSC 108993;NSC-108993;BS-32574;CS-0153578;FT-0762694;methyl5-methyl-4-nitrothiophene-2-carboxylate;D95098;EN300-191351;methyl 4-nitro-5-methylthiophene-2-carboxylate;5-methyl-4-nitrothiophene 2-carboxylic acid methyl ester

Chemical Property of Methyl 5-methyl-4-nitrothiophene-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.000191mmHg at 25°C
• Boiling Point: 328.3°Cat760mmHg
• Flash Point: 152.4°C
• PSA: 100.36000
• Density: 1.388g/cm³
• LogP: 2.27450
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 201.00957888
• Heavy Atom Count: 13
• Complexity: 227

Purity/Quality:

96% ^*data from raw suppliers

methyl5-methyl-4-nitrothiophene-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(S1)C(=O)OC)[N+](=O)[O-]

Technology Process of Methyl 5-methyl-4-nitrothiophene-2-carboxylate

There total 11 articles about Methyl 5-methyl-4-nitrothiophene-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: 98.0%

methanol (67-56-1) + 5-methyl-4-nitro-thiophene-2-carboxylic acid (36050-35-8) → 5-methyl-4-nitro-thiophene-2-carboxylic acid methyl ester (56921-01-8)

Guidance literature:

With sulfuric acid; at 20 ℃; Heating / reflux;

Reference yield: 86.0%

methyl 5-methylthiophene-2-carboxylate (19432-69-0) → 5-methyl-4-nitro-thiophene-2-carboxylic acid methyl ester (56921-01-8)

Guidance literature:

With sulfuric acid; nitric acid; at 0 ℃; for 0.5h;

DOI:10.1021/jm500510f

Reference yield: 50.0%

methyl 4-nitrothiophene-2-carboxylate (24647-78-7) + acetic acid (64-19-7,77671-22-8) → 5-methyl-4-nitro-thiophene-2-carboxylic acid methyl ester (56921-01-8)

Guidance literature:

With ammonium peroxydisulfate; silver nitrate; In water; acetonitrile; for 0.5h; Heating;

DOI:10.1039/P29800001331

upstream raw materials:

methyl 5-methylthiophene-2-carboxylate

methyl 4-nitrothiophene-2-carboxylate

acetic acid

4,5-dinitro-2-methoxycarbonylthiophen

Downstream raw materials:

5-(4-chloro-trans-styryl)-4-nitro-thiophene-2-carboxylic acid methyl ester

5-[2-(2-fluoro-phenyl)-quinolin-6-yl]-4H-thieno[3,2-b]pyrrole-2-carboxylic acid methyl ester

Refernces

• 1、 -. "AMIDE COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS". Paragraph 0588. . Retrieved 2017/03/14.
• 2、 -. "BICYCLIC HETEROCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS". Page/Page column 33; 34. . Retrieved 2015/02/02.