Methyl 5-nitrothiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 5-nitrothiophene-2-carboxylate
• CAS No.: 5832-01-9
• Molecular Formula: C6H5NO4S
• Molecular Weight: 187.176
• Hs Code.: 2934999090
• European Community (EC) Number: 227-412-5
• UNII: L9B8J5U8CF
• DSSTox Substance ID: DTXSID10207048
• Nikkaji Number: J218.088J
• Wikidata: Q72496339
• Mol file: 5832-01-9.mol

Synonyms:Methyl 5-nitrothiophene-2-carboxylate;5832-01-9;5-Nitrothiophene-2-carboxylic acid methyl ester;Methyl 5-nitro-2-thiophenecarboxylate;Methyl 5-nitro-2-thenoate;2-Thiophenecarboxylic acid, 5-nitro-, methyl ester;5-Nitro-2-(methoxycarbonyl)thiophene;MFCD02702303;5-NITRO-2-THIOPHENECARBOXYLIC ACID METHYL ESTER;L9B8J5U8CF;SCHEMBL1483376;DTXSID10207048;EINECS 227-412-5;Methyl 5-nitro-2-thienylcarboxylate;CCG-45866;Methyl 5-nitrothaphene-2-carboxylate;methyl 5-nitrothiophen-2-carboxylate;AKOS000278519;AB12666;Methyl 5-nitro-2-thiophenecarboxylate #;DS-14427;SY022727;CS-0037854;FT-0707205;EN300-37212;5-Nitro-thiophene-2-carboxylic acid methyl ester;A905614;SR-01000635609-1;Thiophene-2-carboxylic acid, 5-nitro-, methyl ester;Z19502036

Chemical Property of Methyl 5-nitrothiophene-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.000751mmHg at 25°C
• Melting Point: 99 °C
• Refractive Index: 1.582
• Boiling Point: 306.9 °C at 760 mmHg
• Flash Point: 139.4 °C
• PSA: 100.36000
• Density: 1.454 g/cm³
• LogP: 1.96610
• 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: 186.99392881
• Heavy Atom Count: 12
• Complexity: 202

Purity/Quality:

98.0%Min ^*data from raw suppliers

5-Nitro-2-thiophenecarboxylic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 5-nitrothiophene-2-carboxylate

There total 19 articles about Methyl 5-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: 96.5%

5-nitro-2-thiophenecarboxaldehyde (4521-33-9) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → methyl 5-nitrothiophene-2-carboxylate (5832-01-9)

Guidance literature:

With iodine; sodium hydrogencarbonate; In methanol; n-heptane;

Reference yield: 92.0%

→ methyl 5-nitrothiophene-2-carboxylate (5832-01-9)

Guidance literature:

Reference yield: 91.0%

methanol (67-56-1) + 5-nitrothiophene-2-carboxylic acid (6317-37-9) → methyl 5-nitrothiophene-2-carboxylate (5832-01-9)

Guidance literature:

With sulfuric acid; for 48h; Heating;

DOI:10.1002/hlca.200290024

upstream raw materials:

thiophene-2-carboxylic acid methyl ester

methanol

5-nitro-2-thienyl cyanide

5-nitrothiophene-2-carboxylic acid

Downstream raw materials:

C₁₉H₁₆N₂O₅S

methyl 5-(3-(difluoromethoxy)-2-nitrophenylamino)thiophene-2-carboxylate

C₁₃H₁₂N₂O₅S

C₁₃H₉F₃N₂O₄S

Refernces

• 1、 Peng, Jingjing,Zhao, Lifen,Wang, Lanlan,Chen, Hui,Qiu, Yunguang,Wang, Jiang,Yang, Huaiyu,Liu, Jun,Liu, Hong. "Design, synthesis, and biological evaluation of 2-(phenoxyaryl)-3-urea derivatives as novel P2Y1 receptor antagonists". . p. 302 - 310. Retrieved 2018/09/18.
• 2、 -. "ANTI-CANCER DRUGS AND USES RELATING THERETO FOR METASTATIC MALIGNANT MELANOMA AND OTHER CANCERS". Page/Page column 38-39. . Retrieved 2010/04/06.