2,4-Dimethylthiophene

Base Information

• Chemical Name: 2,4-Dimethylthiophene
• CAS No.: 638-00-6
• Molecular Formula: C6H8S
• Molecular Weight: 112.196
• Hs Code.: 29349990
• European Community (EC) Number: 211-312-3
• UNII: Q9B2TF3UVC
• DSSTox Substance ID: DTXSID40213238
• Nikkaji Number: J110.441A
• Wikidata: Q83088530
• Metabolomics Workbench ID: 45827
• Mol file: 638-00-6.mol

Synonyms:2,4-Dimethylthiophene;638-00-6;Thiophene, 2,4-dimethyl-;2,4-dimethyl-thiophene;Q9B2TF3UVC;EINECS 211-312-3;MFCD00130082;Thiophene,2,4-dimethyl;2,4-Dimethyl Thiophene;UNII-Q9B2TF3UVC;EC-000.1622;SCHEMBL40746;DTXSID40213238;GEO-01226;AKOS005255556;AS-50030;A8775;CS-0152847;FT-0610191;EN300-111893;O10605;W-200473

Chemical Property of 2,4-Dimethylthiophene

Chemical Property:

• Vapor Pressure: 0.035mmHg at 25°C
• Melting Point: -66.9°C (estimate)
• Refractive Index: 1.607
• Boiling Point: 138.7 °C at 760 mmHg
• Flash Point: 23 °C
• PSA: 28.24000
• Density: 1.006 g/cm³
• LogP: 2.36490
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 112.03467143
• Heavy Atom Count: 7
• Complexity: 61.2

Purity/Quality:

99%, ^*data from raw suppliers

2,4-Dimethylthiophene ^*data from reagent suppliers

Safty Information:

• Statements: 10-36/37/38
• Safety Statements: 16-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CS1)C
• Uses: 2,4-Dimethylthiophene is a biochemical used for proteomics and food research.

Technology Process of 2,4-Dimethylthiophene

There total 30 articles about 2,4-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: 79.0%

4-bromo-2-methylthiophene (29421-92-9) + methylmagnesium chloride (676-58-4) → 2,4-dimethylthiophene (638-00-6)

Guidance literature:

With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); In diethyl ether; for 22h;

DOI:10.1002/anie.200602591

Reference yield: 76.0%

thiophene-2,4-dicarbaldehyde (932-93-4) → 2,4-dimethylthiophene (638-00-6)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; In diethylene glycol;

DOI:10.1016/S0040-4020(01)83499-2

Reference yield: 73.0%

3-Methylthiophene (616-44-4,84928-92-7) + methyl iodide (74-88-4) → 2,4-dimethylthiophene (638-00-6)

Guidance literature:

3-Methylthiophene; With 2,2,6,6-tetramethylpiperidinyl-lithium; In tetrahydrofuran; pentane; at -78 ℃; for 1h;

methyl iodide; In tetrahydrofuran; at -78 - 20 ℃; for 4h; Further stages.;

DOI:10.1021/jo062024f

upstream raw materials:

4-methylthiophene-2-carbaldehyde

2,5-Dimethyl-[1,4]dithiin

4-methyl-pent-3-en-2-one

2-methyl-4-oxopentanoic acid

Downstream raw materials:

1-(3,5-dimethylthiophen-2-yl)-2,2,2-trifluoroethanone

1,5-bis-3-(2-chloro-3,5-dimethylthienyl)-1,5-pentadione

1,2-bis-(2,4-dimethyl-5-(4-methylphenyl)thien-3-yl)cyclopent-1-ene

2,4-dimethylthiophene-3-carboxylic acid

Refernces

• 1、 Mashkina,Khairulina. "Catalytic Synthesis of Methylthiophenes". . p. 1794 - 1797. Retrieved 2019/03/26.
• 2、 Goestl, Robert,Kobin, Bjoern,Grubert, Lutz,Paetzel, Michael,Hecht, Stefan. "Sterically crowding the bridge of dithienylcyclopentenes for enhanced photoswitching performance". supporting information. p. 14282 - 14285. Retrieved 2013/01/15.