Thiophene-3-carboxamide

Base Information

• Chemical Name: Thiophene-3-carboxamide
• CAS No.: 51460-47-0
• Molecular Formula: C5H5NOS
• Molecular Weight: 127.167
• Hs Code.: 2934999090
• European Community (EC) Number: 692-329-7
• DSSTox Substance ID: DTXSID70458610
• Nikkaji Number: J1.567.225K
• Wikidata: Q82282040
• Mol file: 51460-47-0.mol

Synonyms:Thiophene-3-carboxamide;51460-47-0;3-Thiophenecarboxamide;Thiophene-3-carboxylic acid amide;3-Thiophenecarboxamide, 98%;SCHEMBL826805;DTXSID70458610;DAUYIKBTMNZABP-UHFFFAOYSA-N;3-THIOPHENECARBOXAMIDE 98;BCA46047;MFCD05664206;AKOS008982383;MS-8632;FT-0682829;EN300-1265804;Z82670330;F9995-1211

Chemical Property of Thiophene-3-carboxamide

Chemical Property:

• Vapor Pressure: 0.000495mmHg at 25°C
• Melting Point: 181-184 °C(lit.)
• Refractive Index: 1.603
• Boiling Point: 313.5°Cat760mmHg
• Flash Point: 143.4°C
• PSA: 71.33000
• Density: 1.302g/cm³
• LogP: 1.54730
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 127.00918496
• Heavy Atom Count: 8
• Complexity: 105

Purity/Quality:

98%,99%, ^*data from raw suppliers

Thiophene-3-carboxamide ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC=C1C(=O)N

Technology Process of Thiophene-3-carboxamide

There total 17 articles about Thiophene-3-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: 100.0%

3-thiophenecarbonitrile (1641-09-4) → 3-carbamoylthiophene (51460-47-0)

Guidance literature:

With copper(l) iodide; caesium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In nitromethane; water; at 20 - 100 ℃; for 1h;

DOI:10.1055/s-0037-1609912

Reference yield: 99.0%

3-thiophenecarbaldoxime hydrochloride (42466-50-2) → 3-carbamoylthiophene (51460-47-0)

Guidance literature:

With silver tetrafluoroborate; chloro(1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene)gold(I); at 100 ℃; for 20h; Sealed tube; Neat (no solvent);

DOI:10.1021/jo902461a

Reference yield: 96.0%

→ 3-carbamoylthiophene (51460-47-0)

Guidance literature:

With silver tetrafluoroborate; C₃₆H₃₅ClFeOP₃Pt⁽¹⁺⁾*BF₄^(1-); In tetrahydrofuran; water; at 25 ℃; for 12h;

upstream raw materials:

3-thiophene carboxylic acid chloride

3-thiophenecarbonitrile

3-Bromothiophene

3-thienyl iodide

Downstream raw materials:

N-(2-acetyl-phenyl)-3-thiophenecarboxamide

(3-thienylmethyl)amine

3-benzoylthiophene

thiophene-3-thiocarboxamide

Refernces

• 1、 -. "Efficient nitriding reagent and application thereof". Paragraph 0354-0357. . Retrieved 2021/03/31.
• 2、 -. "Method for preparing amide compounds by catalyzing organic nitrile hydration with oxide material". Paragraph 0132-0133. . Retrieved 2020/06/05.