2-Methyl-5-(thiophen-2-YL)thiophene

Base Information

• Chemical Name: 2-Methyl-5-(thiophen-2-YL)thiophene
• CAS No.: 18494-74-1
• Molecular Formula: C9H8S2
• Molecular Weight: 180.295
• DSSTox Substance ID: DTXSID20452961
• Nikkaji Number: J1.491.853A
• Wikidata: Q82273882
• Mol file: 18494-74-1.mol

Synonyms:2-METHYL-5-(THIOPHEN-2-YL)THIOPHENE;18494-74-1;5-Methyl-2,2'-bithiophene;5-methyl-[2,2']bithiophene;2-methyl-5-thiophen-2-ylthiophene;5-methyl(2,2'-bithienyl);SCHEMBL144406;DTXSID20452961;JFMOEAUCEDWSLO-UHFFFAOYSA-N;GEO-01968;MFCD12547120;AKOS005257652;W-200184

Chemical Property of 2-Methyl-5-(thiophen-2-YL)thiophene

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 180.00674260
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(S1)C2=CC=CS2

Technology Process of 2-Methyl-5-(thiophen-2-YL)thiophene

There total 1 articles about 2-Methyl-5-(thiophen-2-YL)thiophene 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:

2-lithio-5-methylthiophene (63762-42-5) → 2-methyl-2,5'-bithiophene (18494-74-1) + 5,5'-dimethyl-2,2'-dithiophene (16303-58-5) + 2,2'-Bithiophene (492-97-7)

Guidance literature:

With oxygen; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1.) 2-MeTHF, -125 deg C; 2.) -125 deg C;

DOI:10.1016/S0040-4039(00)75970-3

Reference yield: 60.0%

2-methyl-2,5'-bithiophene (18494-74-1) → 5-(thien-2-yl)thiophene-2-carboxylic acid (2060-55-1)

Guidance literature:

With oxygen; In chloroform; for 12h; Irradiation;

Reference yield:

2-methyl-2,5'-bithiophene (18494-74-1) + [PdPh(μ-O2CMe)(PPh3)]2 (106354-46-5,287183-78-2) → Pd(phenyl)(acetato)(PPh3)2 (171484-64-3,167227-37-4) + C15H12S2 (106925-68-2) + palladium (7440-05-3) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

With 2-Methylthiophene; In 1,4-dioxane; at 90 ℃; for 0.583333h; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1021/om400636r

upstream raw materials:

2-lithio-5-methylthiophene

Downstream raw materials:

5-methyl-2,2'-bithiophene-5'-carboxaldehyde

5-(thien-2-yl)thiophene-2-carboxylic acid

5,5'-dimethyl-2,2'-dithiophene

Pd(phenyl)(acetato)(PPh₃)₂