3,4-Dimethylthieno[2,3-b]thiophene

Base Information

• Chemical Name: 3,4-Dimethylthieno[2,3-b]thiophene
• CAS No.: 175202-58-1
• Molecular Formula: C8H8 S2
• Molecular Weight: 168.28
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40384851
• Nikkaji Number: J1.648.824K
• Wikidata: Q82177240
• Mol file: 175202-58-1.mol

Synonyms:3,4-dimethylthieno(2,3-b)thiophene

Chemical Property of 3,4-Dimethylthieno[2,3-b]thiophene

Chemical Property:

• Vapor Pressure: 0.0101mmHg at 25°C
• Melting Point: 72-74°C
• Boiling Point: 272.6°Cat760mmHg
• Flash Point: 86.4°C
• PSA: 56.48000
• Density: 1.245g/cm³
• LogP: 3.57960
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 168.00674260
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

99% ^*data from raw suppliers

3,4-DIMETHYLTHIENO[2,3-B]THIOPHENE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CSC2=C1C(=CS2)C

Technology Process of 3,4-Dimethylthieno[2,3-b]thiophene

There total 7 articles about 3,4-Dimethylthieno[2,3-b]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: 99.2%

thieno[2,3-b]thiophene (250-84-0) + nitromethane (75-52-5) → 3,4-dimethyl thieno[2,3-b]thiophene (175202-58-1)

Guidance literature:

With 5% rhodium-on-charcoal; potassium tert-butylate; at 150 ℃; for 25h; under 6080.41 Torr; Temperature; Pressure; Reagent/catalyst; Concentration; Inert atmosphere;

Reference yield: 99.0%

carbon disulfide (75-15-0,12122-00-8) + acetaldehyde (75-07-0,9002-91-9) + malonic acid dimethyl ester (108-59-8) → 3,4-dimethyl thieno[2,3-b]thiophene (175202-58-1)

Guidance literature:

carbon disulfide; malonic acid dimethyl ester; In N,N-dimethyl-formamide; Reflux;

acetaldehyde; With potassium fluoride; palladium 10% on activated carbon; In N,N-dimethyl-formamide; at 180 ℃; for 12h; under 5320.36 Torr; Inert atmosphere;

Reference yield: 98.0%

carbon disulfide (75-15-0,12122-00-8) + acetaldehyde (75-07-0,9002-91-9) + diethyl malonate (105-53-3) → 3,4-dimethyl thieno[2,3-b]thiophene (175202-58-1)

Guidance literature:

carbon disulfide; diethyl malonate; In N,N-dimethyl-formamide; Reflux;

acetaldehyde; With potassium fluoride; palladium 10% on activated carbon; In water; at 165 ℃; for 11h; under 3800.26 Torr;

upstream raw materials:

3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylic acid

diethyl 3,4-dimethylthieno<2,3-b>thiophen-2,5-dicarboxylate

acetylacetone

thieno[2,3-b]thiophene

Refernces

• 1、 -. "3,4-dimethylthiophene[2,3-b]thiophthene synthesis method". Paragraph 0039-0045. . Retrieved 2017/08/29.
• 2、 Comel,Kirsch. "Efficient one pot preparation of variously substituted thieno[2,3-b]thiophene". . p. 1167 - 1171. Retrieved 2007/10/03.