3,4-Dimethylthiophene

Base Information

• Chemical Name: 3,4-Dimethylthiophene
• CAS No.: 632-15-5
• Molecular Formula: C6H8S
• Molecular Weight: 112.196
• Hs Code.: 2934999090
• European Community (EC) Number: 874-601-9
• UNII: 96Q084Q43E
• DSSTox Substance ID: DTXSID40212549
• Nikkaji Number: J134.780B
• Wikidata: Q27161705
• Metabolomics Workbench ID: 45829
• Mol file: 632-15-5.mol

Synonyms:3,4-Dimethylthiophene;632-15-5;Thiophene, 3,4-dimethyl-;3,4-dimethyl-thiophene;UNII-96Q084Q43E;MFCD01764731;96Q084Q43E;3,4-dimethyl thiophene;EC-000.1634;SCHEMBL129408;FEMA NO. 4645;CHEBI:89511;DTXSID40212549;AMY10944;GEO-01227;AKOS006229686;CS-W005271;AS-47616;SY100626;A8719;FT-0603718;EN300-86409;F14672;Q27161705;Methyl-5-deoxy-2,3-O Cisopropylidene-|A-D-ribofuranoside

Chemical Property of 3,4-Dimethylthiophene

Chemical Property:

• Vapor Pressure: 5.84mmHg at 25°C
• Melting Point: 50-54℃
• Refractive Index: 1.527
• Boiling Point: 146.5 °C at 760 mmHg
• Flash Point: 26.7 °C
• PSA: 28.24000
• Density: 1.006 g/cm³
• LogP: 2.36490
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 112.03467143
• Heavy Atom Count: 7
• Complexity: 53.2

Purity/Quality:

99.9% ^*data from raw suppliers

3,4-Dimethylthiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CSC=C1C
• Uses: 3,4-Dimethylthiophene is used in dry onion preparation for seasoning.

Technology Process of 3,4-Dimethylthiophene

There total 23 articles about 3,4-Dimethylthiophene 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: 38.0%

Spiro (35977-66-3) → 3,4-dimethylthiophene (632-15-5) + xanthene (92-83-1) + 9,9'-bixanthene (4381-14-0) + 3,4-Dimethyl-2-(9'-xanthenyl)thiophen (74250-10-5)

Guidance literature:

In benzene; for 10h; Product distribution; Heating;

Reference yield: 19.0%

3',6'-Dihydro-4',5'-dimethylspiro(fluoren-9,2'-<6,6-D2>-<2H>thiopyran)-1'-oxid (68597-16-0) → 3,4-dimethylthiophene (632-15-5) + 9H-fluorene (86-73-7) + 3,4-Dimethyl-2-(9'-fluorenyl)thiophen (54312-31-1)

Guidance literature:

at 240 - 260 ℃; for 0.333333h; Product distribution;

Reference yield: 18.0%

Spiro (37044-85-2) → 3,4-dimethylthiophene (632-15-5) + xanthene (92-83-1) + 2,3-Dimethyl-2-butene (563-79-1) + 9H-xanthene-9-thione (492-21-7) + 9,9'-bixanthene (4381-14-0) + 2,3-dimethyl-buta-1,3-diene (513-81-5)

Guidance literature:

at 240 - 260 ℃; for 0.333333h; Product distribution;

upstream raw materials:

2,3-dimethylthiophene

2,4-dimethylthiophene

3-Methylthiophene

Spiro

Downstream raw materials:

C₂₆H₃₂O₄S

3,4-dimethylthiophene-2-sulfonyl chloride

Refernces

• 1、 Deng, Shi-Ren,Wu, Tao,Hu, Gao-Qiang,Li, Dan,Zhou, Yun-Hong,Li, Zao-Ying. "Synthesis and structure of novel disulfide(trisulfide)-containing thiophenes". . p. 71 - 78. Retrieved 2007/10/03.
• 2、 Block,Zhao. "Onion essential oil chemistry. cis- and trans-2-mercapto-3,4-dimethyl-2,3-dihydrothiophene from pyrolysis of bis(1-propenyl) disulfide". . p. 4999 - 5002. Retrieved 2007/10/02.