2-Ethynyl-3-methylthiophene

Base Information

• Chemical Name: 2-Ethynyl-3-methylthiophene
• CAS No.: 81294-11-3
• Molecular Formula: C₇H₆S
• Molecular Weight: 122.191
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80513466
• Wikidata: Q82373304
• Mol file: 81294-11-3.mol

Synonyms:2-Ethynyl-3-methylthiophene;81294-11-3;2-ETHYNYL-3-METHYL-THIOPHENE;SCHEMBL3346930;DTXSID80513466;AKOS006240693;CS-0237491;E84542;EN300-184385;F2147-2802

Chemical Property of 2-Ethynyl-3-methylthiophene

Chemical Property:

• PSA: 28.24000
• LogP: 2.03780
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 122.01902136
• Heavy Atom Count: 8
• Complexity: 120

Purity/Quality:

97% ^*data from raw suppliers

2-ethynyl-3-methylthiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC=C1)C#C

Technology Process of 2-Ethynyl-3-methylthiophene

There total 8 articles about 2-Ethynyl-3-methylthiophene 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: 92.0%

3-methyl-2-trimethylsilylethynylthiophene (1228352-96-2) → 2-ethynyl-3-methylthiophene (81294-11-3)

Guidance literature:

With potassium hydroxide; In methanol; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1039/c0cc00128g

Reference yield: 49.0%

3-methyl-2-thiophenecarboxaldehdye (5834-16-2,699531-50-5) + dimethyl 1-(1-diazo-2-oxopropyl)phosphonate (90965-06-3) → 2-ethynyl-3-methylthiophene (81294-11-3)

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃;

DOI:10.1016/j.ejmech.2022.114275

Reference yield: 48.0%

2-(2,2-dibromoethenyl)-3-methylthiophene (77386-41-5) → 2-ethynyl-3-methylthiophene (81294-11-3)

Guidance literature:

With n-butyllithium; In diethyl ether; 1.) -78, 1 h, 2.) RT, 1 h;

DOI:10.1021/jo00132a047

upstream raw materials:

2-acetyl-3-methylthiophene

2-(2,2-dibromoethenyl)-3-methylthiophene

(α-ethoxycarbonyl-α-3-methyl-2-thenoylmethylene)triphenylphosphorane

3-methylthenoyl chloride

Downstream raw materials:

3,3”-dimethyl-2,2’:5’,2”-terthiophene

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