2-Ethyl-5-methylthiophene

Base Information

• Chemical Name: 2-Ethyl-5-methylthiophene
• CAS No.: 40323-88-4
• Molecular Formula: C7H10S
• Molecular Weight: 126.222
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30334522
• Wikidata: Q72476261
• Metabolomics Workbench ID: 44021
• Mol file: 40323-88-4.mol

Synonyms:2-Ethyl-5-methylthiophene;40323-88-4;Thiophene, 2-ethyl-5-methyl-;2-ethyl-5-methyl-thiophene;2-Methyl-5-ethyl-thiophene;5-Methyl-2-ethylthiophene;2-methyl-5-ethylthiophene;SCHEMBL96145;2-Ethyl-5-methylthiophene #;DTXSID30334522;MFCD00053128;AKOS015897490;DS-4186;CS-0152517;FT-0654534;D82487;A825052;J-509322;F0001-1487

Chemical Property of 2-Ethyl-5-methylthiophene

Chemical Property:

• Vapor Pressure: 3.17mmHg at 25°C
• Refractive Index: 1.521
• Boiling Point: 160 °C at 760 mmHg
• Flash Point: 31.4 °C
• PSA: 28.24000
• Density: 0.986 g/cm³
• LogP: 2.61890
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 126.05032149
• Heavy Atom Count: 8
• Complexity: 70.8

Purity/Quality:

99% ^*data from raw suppliers

2-Ethyl-5-methylthiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(S1)C

Technology Process of 2-Ethyl-5-methylthiophene

There total 3 articles about 2-Ethyl-5-methylthiophene 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:

octane (111-65-9) → 2-Methylthiophene (554-14-3) + 2-ethylthiophene (872-55-9) + 2-propylthiophene (1551-27-5) + 2,5-DIMETHYLTHIOPHENE (638-02-8) + 2-butylthiophene (1455-20-5) + 2-methyl-5-ethyli-thiophene (40323-88-4)

Guidance literature:

With hydrogen sulfide; aluminum oxide; chromium(III) oxide; Cr2O3 - Polirit - K2O - γ-Al2O3; potassium oxide; at 450 ℃; Product distribution;

DOI:10.1007/BF00953011

Reference yield:

n-heptane (142-82-5) → thiophene (188290-36-0,8014-23-1,25233-34-5) + 2-Methylthiophene (554-14-3) + 2-ethylthiophene (872-55-9) + 2-propylthiophene (1551-27-5) + 2,5-DIMETHYLTHIOPHENE (638-02-8) + 2-methyl-5-ethyli-thiophene (40323-88-4)

Guidance literature:

With hydrogen sulfide; aluminum oxide; chromium(III) oxide; Cr2O3 - Polirit - K2O - γ-Al2O3; potassium oxide; at 450 ℃; Product distribution;

DOI:10.1007/BF00953011

Reference yield:

2-ethyl-5-methylfuran (1703-52-2) → 2-methyl-5-ethyli-thiophene (40323-88-4) + heptane-2,5-dione (1703-51-1)

Guidance literature:

With hydrogenchloride; hydrogen sulfide; In ethanol; at 35 ℃; Product distribution; other reaction time, other substrates;

DOI:10.1007/BF00470688

upstream raw materials:

2-ethyl-5-methylfuran

octane

n-heptane

Downstream raw materials:

5-ethyl-thiophene-2-carbaldehyde

Refernces

• 1、 Ryashentseva, M. A.,Minachev, Kh. M.,Belanova, E. P.,Bogdanov, V. S.. "REACTIVITY OF C6 - C8 ALKANES IN FORMING ALKYLTHIOPHENES AND AROMATIC HYDROCARBONS IN THE PRESENCE OF H2S ON A Cr-CONTAINING CATALYST". . p. 2489 - 2492. Retrieved 2007/10/02.