Thiophene, 2-(1-methylethyl)-

Base Information

• Chemical Name: Thiophene, 2-(1-methylethyl)-
• CAS No.: 4095-22-1
• Molecular Formula: C₇H₁₀S
• Molecular Weight: 126.222
• DSSTox Substance ID: DTXSID00193946
• Nikkaji Number: J100.586C
• Wikidata: Q83066676
• Mol file: 4095-22-1.mol

Synonyms:Thiophene, 2-(1-methylethyl)-;2-Isopropylthiophene;4095-22-1;2-(propan-2-yl)thiophene;Thiophene, 2-isopropyl-;2-propan-2-ylthiophene;SCHEMBL79717;2-(1-Methylethyl)-thiophene;DTXSID00193946;LOXBELRNKUFSRD-UHFFFAOYSA-N;AKOS006373922;CS-0223189;EN300-114289;Z1198727220

Chemical Property of Thiophene, 2-(1-methylethyl)-

Chemical Property:

• 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: 68.8

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=CS1

Technology Process of Thiophene, 2-(1-methylethyl)-

There total 2 articles about Thiophene, 2-(1-methylethyl)- 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:

2,5-bis(isopropyl)thiophene (147871-89-4) → thiophene (188290-36-0,8014-23-1,25233-34-5) + 2-isopropylthiophene (4095-22-1)

Guidance literature:

AlSi; at 450 ℃; Further Variations:; contact time with catalyst; Product distribution;

Reference yield:

2,3,5-triisopropylthiophene → thiophene (188290-36-0,8014-23-1,25233-34-5) + 2-isopropylthiophene (4095-22-1)

Guidance literature:

AlSi; at 450 ℃; Further Variations:; contact time with catalyst; Product distribution;

Reference yield:

2-isopropylthiophene (4095-22-1) → 3-bromo-2-isopropyl-5-phenylthiophene (909103-22-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 53 percent / Br₂ / CHCl₃; toluene / 0 - 20 °C

2.1: n-BuLi / tetrahydrofuran; hexane / 1 h / 78 °C

2.2: tributyl borate / hexane; tetrahydrofuran / 1.5 h / -78 °C

3.1: 1.0 g / aq. Na₂CO₃ / Pd(PPh₃)4 / hexane; tetrahydrofuran

With n-butyllithium; bromine; sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; hexane; chloroform; toluene; 3.1: Suzuki coupling;

DOI:10.1055/s-2006-942377

upstream raw materials:

2,5-bis(isopropyl)thiophene

Downstream raw materials:

2-benzoyl-5-isopropylthiophene

thiophene

3-bromo-2-isopropyl-5-phenylthiophene

5-bromo-6-(2-isopropyl-5-phenylthien-3-yl)-1,10-phenanthroline

Refernces