N-methylthiophene-2-carboxamide

Base Information

• Chemical Name: N-methylthiophene-2-carboxamide
• CAS No.: 39880-77-8
• Molecular Formula: C6H7NOS
• Molecular Weight: 141.194
• European Community (EC) Number: 641-951-7
• DSSTox Substance ID: DTXSID60878909
• Nikkaji Number: J1.619.442E
• Wikidata: Q82860927
• Mol file: 39880-77-8.mol

Synonyms:N-methylthiophene-2-carboxamide;39880-77-8;2-Thiophenecarboxamide,N-methyl-(6CI,7CI,9CI);THIOPHENE-2-CARBOXYLIC ACID METHYLAMIDE;MFCD01211948;n-methyl-2-thiophenecarboxamide;N-Methylthiophene-2-carboxamide;Tenoxicam Imp. C (EP);Tenoxicam Impurity C;2-Thiophenecarboxamide, N-methyl-;SCHEMBL77352;N-methylthiophen-2-carboxamide;2-Thiophenecarboxamide,N-methyl;2-thiophenecarboxamide,n-methyl-;DTXSID60878909;N-Methyl-2-(aminocarbonyl)thiophene;AKOS005254806;EN300-315292;AK-830/25033017;Z32016662

Chemical Property of N-methylthiophene-2-carboxamide

Chemical Property:

• Vapor Pressure: 0.000191mmHg at 25°C
• Melting Point: 142-145℃ (decomposition)
• Boiling Point: 328.3oC at 760 mmHg
• PKA: 14.81±0.46(Predicted)
• Flash Point: 152.3oC
• PSA: 57.34000
• Density: 1.183g/cm3
• LogP: 1.49860
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 141.02483502
• Heavy Atom Count: 9
• Complexity: 116

Purity/Quality:

NLT 98% ^*data from raw suppliers

N-Methylthiophene-2-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)C1=CC=CS1
• Uses: N-Methylthiophene-2-carboxamide is an impurity of Tenoxicam (T019500), a nonsteroidal anti-inflamatory agent.

Technology Process of N-methylthiophene-2-carboxamide

There total 1 articles about N-methylthiophene-2-carboxamide 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: 81.0%

thiophene-2-carbonitrile (1003-31-2) + methanol (67-56-1) → N‐methyl‐2‐thiophenecarboxamide (39880-77-8)

Guidance literature:

With tris(2-diphenylphosphinoethyl)phosphine; potassium tert-butylate; water; caesium carbonate; cobalt(II) bromide; In m-xylene; at 140 ℃; for 24h; Green chemistry;

DOI:10.1021/acscatal.9b03916

Reference yield: 92.0%

N‐methyl‐2‐thiophenecarboxamide (39880-77-8) + (allylsulfonyl)benzene (16212-05-8) → (E)-N-methyl-3-(3-(phenylsulfonyl)prop-1-en-1-yl)thiophene-2-carboxamide

Guidance literature:

With silver hexafluoroantimonate; [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; copper(II) acetate monohydrate; acetic acid; In 1,4-dioxane; at 20 - 110 ℃; for 24h; stereoselective reaction; Sealed tube;

DOI:10.1021/acs.orglett.1c02424

Reference yield: 88.0%

N‐methyl‐2‐thiophenecarboxamide (39880-77-8) + 1-Phenyl-2-(trimethylsilyl)acetylene (2170-06-1) → (E)-N-methyl-3-styrylthiophene-2-carboxamide

Guidance literature:

With silver hexafluoroantimonate; carbonyl(pentamethylcyclopentadienyl)cobalt diiodide; In 1,2-dichloro-ethane; at 120 ℃; for 3h;

DOI:10.1002/adsc.201800649

upstream raw materials:

thiophene-2-carbonitrile

methanol

Downstream raw materials:

N-methylthiophene-2-carboximidoyl chloride

2-Thiophenecarbonyl chloride

2-thiophenylcarboxylic acid

thiophene-2-carboxylic acid methyl ester