2,5-Dimethylthiophene

Base Information

• Chemical Name: 2,5-Dimethylthiophene
• CAS No.: 638-02-8
• Molecular Formula: C6H8 S
• Molecular Weight: 112.196
• Hs Code.: 29349990
• European Community (EC) Number: 211-313-9
• NSC Number: 60689
• UNII: V6DDX6WB12
• DSSTox Substance ID: DTXSID2074295
• Nikkaji Number: J6.920E,J3.189.985K
• Wikipedia: 2,5-Dimethylthiophene
• Wikidata: Q27291590
• Metabolomics Workbench ID: 45828
• Mol file: 638-02-8.mol

Synonyms:2,5-DIMETHYLTHIOPHENE;638-02-8;Thiophene, 2,5-dimethyl-;2,5-dimethyl-thiophene;MFCD00005452;UNII-V6DDX6WB12;V6DDX6WB12;EINECS 211-313-9;NSC-60689;NSC60689;2,5 Dimethylthiophene;Thiophene,5-dimethyl-;2,5-dimethyl thiophene;2,5-Dimethyl-2H-thiolium;SCHEMBL64283;DTXSID2074295;2,5-Dimethylthiophene, >=98%;2,5-Dimethylthiophene, 98.5%;CHEBI:167073;NSC 60689;AKOS000121512;AKOS016017809;PS-3263;AC-18077;SY018010;2,5-Dimethylthiophene, analytical standard;CS-0022382;D1591;FT-0610484;FT-0651650;EN300-21089;F11266;2,5-Dimethylthiophene, purum, >=98.0% (GC);A834530;W-104874;Q27291590;F0001-1465

Chemical Property of 2,5-Dimethylthiophene

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 8.98mmHg at 25°C
• Melting Point: -63°C
• Refractive Index: n20/D 1.512(lit.)
• Boiling Point: 136.8 ºC at 760 mmHg
• Flash Point: 23.9 ºC
• PSA: 28.24000
• Density: 1.006
• LogP: 2.36490
• Storage Temp.: Flammables area
• Water Solubility.: Insoluble in water. Soluble in alcohol, ether and benzene.
• 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: 53.2

Purity/Quality:

95%, 99% ^*data from raw suppliers

2,5-Dimethylthiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn；F；Xi
• Hazard Codes: Xn,F,Xi
• Statements: 10-37-20/22
• Safety Statements: 23-24/25-16-36-33-29-7/9-3/7/9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Thiophenes
• Canonical SMILES: CC1=CC=C(S1)C
• Uses: 2,5-Dimethylthiophene is used as an intermediate in organic synthesis.

Technology Process of 2,5-Dimethylthiophene

There total 40 articles about 2,5-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: 96.0%

5-methylthiophene-2-carboxaldehyde (13679-70-4) → 2,5-DIMETHYLTHIOPHENE (638-02-8)

Guidance literature:

5-methylthiophene-2-carboxaldehyde; With hydrazine hydrate;

With potassium hydroxide;

DOI:10.1016/j.dyepig.2014.02.018

Reference yield: 87.0%

2,5-hexanedione (110-13-4) → 2,5-DIMETHYLTHIOPHENE (638-02-8)

Guidance literature:

With Lawessons reagent; at 140 ℃; for 1h;

DOI:10.1055/s-1982-30065

Reference yield: 80.0%

2,5-dimethylfuran (625-86-5) → 2,5-DIMETHYLTHIOPHENE (638-02-8)

Guidance literature:

With hydrogenchloride; hydrogen sulfide; In acetic acid; Ambient temperature; further acids, solvents;

upstream raw materials:

2-Methylthiophene

5-methylthiophene-2-carboxaldehyde

2-bromo-5-methyl thiophene

methyl iodide

Downstream raw materials:

2,5-dimethyl-γ-oxo-3-thiophenebutanoic acid

1-(2,5-dimethyl-[3]thienyl)-butan-1-one

2-(2,5-dimethyl-3-thenoyl)benzoic acid

3,6-dichloro-2-(2,5-dimethyl-thiophene-3-carbonyl)-benzoic acid

Refernces

• 1、 Gubina,Drevko,Fedina,Rogacheva,Kharchenko. "New method for synthesis of 2,5-disubstituted thiophenes". . p. 650 - 652. Retrieved 1999.
• 2、 Ivanov,Lichitskii,Dudinov,Martynkin,Krayushkin. "Synthesis of substituted 1,2,4-triazines based on 1,2-bis(2,5-dimethyl-3-thienyl)ethanedione". . p. 85 - 90. Retrieved 2001.
• 3、 Mashkina,Khairulina. "Catalytic reactions of dimethyl disulfide with thiophene and benzene". . p. 72 - 81. Retrieved 2016/04/20.
• 4、 Jin, Huiyi,Li, Xianggao,Tan, Tingfeng,Wang, Shirong,Xiao, Yin,Tian, Jianhua. "Electrochromic properties of novel chalcones containing triphenylamine moiety". . p. 154 - 160. Retrieved 2014/04/17.