3-tert-Butylthiophene

Base Information

• Chemical Name: 3-tert-Butylthiophene
• CAS No.: 1689-79-8
• Molecular Formula: C₈H₁₂S
• Molecular Weight: 140.249
• Hs Code.: 2934999090
• UNII: 74M18SC40E
• DSSTox Substance ID: DTXSID10168620
• Nikkaji Number: J110.546I
• Wikidata: Q27266292
• Mol file: 1689-79-8.mol

Synonyms:3-tert-Butylthiophene;1689-79-8;Thiophene, 3-tert-butyl-;Thiophene, 3-(1,1-dimethylethyl)-;UNII-74M18SC40E;74M18SC40E;3-t-butylthiophene;SCHEMBL73301;DTXSID10168620;3-(1,1-dimethylethyl) Thiophene;AKOS006331694;Q27266292

Chemical Property of 3-tert-Butylthiophene

Chemical Property:

• Vapor Pressure: 2.01mmHg at 25°C
• Melting Point: -54.7°C
• Refractive Index: 1.5187 (estimate)
• Boiling Point: 169.8°C at 760 mmHg
• Flash Point: 37.7°C
• PSA: 28.24000
• Density: 0.963g/cm³
• LogP: 3.04560
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 140.06597156
• Heavy Atom Count: 9
• Complexity: 91.2

Purity/Quality:

99%min ^*data from raw suppliers

3-TERT-BUTYLTHIOPHENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CSC=C1

Technology Process of 3-tert-Butylthiophene

There total 11 articles about 3-tert-Butylthiophene 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:

thiophene (188290-36-0,8014-23-1,25233-34-5) + carbon disulfide (75-15-0,12122-00-8) + tertiary butyl chloride (507-20-0) + tin(IV) chloride (7646-78-8) → 3-tert-butylthiophene (1689-79-8) + 2-tert-butylthiophene (1689-78-7) + 2,5-di-tert-butylthiophene (1689-77-6) + 5,5'-di-tert-butyl-2,2'-bithiophene (149228-14-8)

Guidance literature:

Reference yield:

thiophene (188290-36-0,8014-23-1,25233-34-5) + isobutene (115-11-7,15220-85-6) → 3-tert-butylthiophene (1689-79-8) + 2-tert-butylthiophene (1689-78-7)

Guidance literature:

With kieselguhr; phosphoric acid; at 270 ℃; under 14710.2 Torr;

DOI:10.1021/ja01184a077

Reference yield:

2,5-dibromo-3-t-butylthiophene (53119-59-8) → 3-tert-butylthiophene (1689-79-8) + 2-tert-butylthiophene (1689-78-7)

Guidance literature:

With n-butyllithium; In diethyl ether; at -70 ℃; for 1h; Yield given. Yields of byproduct given;

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

upstream raw materials:

thiophene

tertiary butyl chloride

isobutene

2,2-dimethylpropane

Refernces

• 1、 Belen'kii, L. I.,Yakubov, A. P.. "STABLE HETEROARENIUM IONS - VIII SOME TRANSFORMATIONS OF ALKYLTHIOPHENIUM IONS AND NEW SYNTHESIS OF 2-t-BUTYLTHIOPHENE". . p. 2471 - 2477. Retrieved 2007/10/02.