4-Methylthiophene-2-carbonitrile

Base Information

• Chemical Name: 4-Methylthiophene-2-carbonitrile
• CAS No.: 73305-93-8
• Molecular Formula: C6H5NS
• Molecular Weight: 123.178
• Hs Code.: 2934999090
• European Community (EC) Number: 862-798-4
• DSSTox Substance ID: DTXSID10375615
• Wikidata: Q82164207
• Mol file: 73305-93-8.mol

Synonyms:4-methylthiophene-2-carbonitrile;73305-93-8;4-Methyl-thiophene-2-carbonitrile;2-Cyano-4-methylthiophene;SCHEMBL128845;4-methyl-2-thiophenecarbonitrile;DTXSID10375615;KQMGQUQOZSZRBI-UHFFFAOYSA-N;YCA30593;MFCD06657972;AKOS006294355;AS-48191;CS-0377318;FT-0754123;EN300-88701;F19686;J-515833

Chemical Property of 4-Methylthiophene-2-carbonitrile

Chemical Property:

• PSA: 52.03000
• LogP: 1.92818
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 123.01427034
• Heavy Atom Count: 8
• Complexity: 124

Purity/Quality:

99%, ^*data from raw suppliers

4-Methylthiophene-2-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CSC(=C1)C#N
• Uses: 4-Methylthiophene-2-carbonitrile is used in preparation of N-(Heteroaryl)-sulfonamide derivatives, useful as S100 inhibitors.

Technology Process of 4-Methylthiophene-2-carbonitrile

There total 3 articles about 4-Methylthiophene-2-carbonitrile 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:

C6H7NOS (276692-16-1) → 4-methylthiophene-2-carbonitrile (73305-93-8)

Guidance literature:

With potassium acetate; In acetic anhydride; at 150 ℃; for 4h;

DOI:10.1021/cm200330c

Reference yield:

4-methylthiophene-2-carbaldehyde (6030-36-0) → 4-methylthiophene-2-carbonitrile (73305-93-8)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine; hydroxylamine hydrochloride / ethanol / 80 °C

2: potassium acetate / acetic anhydride / 4 h / 150 °C

With pyridine; hydroxylamine hydrochloride; potassium acetate; In ethanol; acetic anhydride;

DOI:10.1021/cm200330c

Reference yield:

3-Methylthiophene (616-44-4,84928-92-7) → 4-methylthiophene-2-carbonitrile (73305-93-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -78 °C / Inert atmosphere

1.2: -78 - 20 °C / Inert atmosphere

2.1: pyridine; hydroxylamine hydrochloride / ethanol / 80 °C

3.1: potassium acetate / acetic anhydride / 4 h / 150 °C

With pyridine; n-butyllithium; hydroxylamine hydrochloride; potassium acetate; In tetrahydrofuran; ethanol; hexane; acetic anhydride;

DOI:10.1021/cm200330c

upstream raw materials:

4-methylthiophene-2-carbaldehyde

3-Methylthiophene

C₆H₇NOS

Downstream raw materials:

3,6-bis(5-bromo-4-methylthiophen-2-yl)-2,5-bis(2-hexyldecyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione

2,5-bis(2-hexyldecyl)-3,6-bis(4-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione

5-bromo-4-methyl-2-thiophenecarbonitrile

4-bromomethyl-thiophene-2-carbonitrile

Refernces