Methyl 5-methyl-2-((2-nitrophenyl)amino)thiophene-3-carboxylate

Base Information

• Chemical Name: Methyl 5-methyl-2-((2-nitrophenyl)amino)thiophene-3-carboxylate
• CAS No.: 72242-31-0
• Molecular Formula: C13H12 N2 O4 S
• Molecular Weight: 292.315
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40598895
• Wikidata: Q72493665
• Mol file: 72242-31-0.mol

Synonyms:72242-31-0;Methyl 5-methyl-2-((2-nitrophenyl)amino)thiophene-3-carboxylate;methyl 5-methyl-2-(2-nitroanilino)thiophene-3-carboxylate;5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarboxylic Acid Methyl Ester;METHYL 5-METHYL-2-[(2-NITROPHENYL)AMINO]THIOPHENE-3-CARBOXYLATE;ATSANGLCFQGIMM-UHFFFAOYSA-N;SCHEMBL4870138;DTXSID40598895;AKOS000282896;Methyl 2-(2-nitroanilino)-5-methvlthiophene-3-carboxvlate;Methyl 2-(2-nitroanilino)-5-methylthiophene-3-carboxylate;Methyl5-methyl-2-((2-nitrophenyl)amino)thiophene-3-carboxylate;5-Methyl-2-(2-nitro-phenylamino)-thiophene-3-carboxylic acid methyl ester;3-THIOPHENECARBOXYLIC ACID-5-METHYL-2-{2-(NITROPHENYL)AMINO}METHYL ESTER

Chemical Property of Methyl 5-methyl-2-((2-nitrophenyl)amino)thiophene-3-carboxylate

Chemical Property:

• PSA: 112.39000
• Density: 1.385±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 4.09110
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, DCM, Methanol
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 292.05177804
• Heavy Atom Count: 20
• Complexity: 374

Purity/Quality:

97% ^*data from raw suppliers

5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarboxylicAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(S1)NC2=CC=CC=C2[N+](=O)[O-])C(=O)OC
• Uses: 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarboxylic Acid Methyl Ester is an Olanzapine (O253750) related compound.

Technology Process of Methyl 5-methyl-2-((2-nitrophenyl)amino)thiophene-3-carboxylate

There total 2 articles about Methyl 5-methyl-2-((2-nitrophenyl)amino)thiophene-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:

methyl 2-amino-5-methylthiophene-3-carboxylate (19369-53-0) + ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → 5-methyl-2-(2-nitro-anilino)-thiophene-3-carboxylic acid methyl ester (72242-31-0)

Guidance literature:

In tetrahydrofuran;

Reference yield:

→ 5-methyl-2-(2-nitro-anilino)-thiophene-3-carboxylic acid methyl ester (72242-31-0)

Guidance literature:

entspr. Fluorbenzol, entspr. Aminothiophen, K2CO3;

DOI:10.1002/oms.1210140313

Reference yield:

5-methyl-2-(2-nitro-anilino)-thiophene-3-carboxylic acid methyl ester (72242-31-0) → zyprexa (132539-06-1)

Guidance literature:

With ammonia; palladium on charcoal catalyst; titanium tetrachloride; In 1-methyl-piperazine; ethanol ethyl acetate; ethyl acetate; methoxybenzene; isopropyl alcohol;

upstream raw materials:

methyl 2-amino-5-methylthiophene-3-carboxylate

ortho-nitrofluorobenzene

Downstream raw materials:

zyprexa

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