2-tert-Butylthiophene

Base Information

• Chemical Name: 2-tert-Butylthiophene
• CAS No.: 1689-78-7
• Molecular Formula: C8H12 S
• Molecular Weight: 140.249
• Hs Code.: 2934999090
• UNII: R5YF9YW3CR
• DSSTox Substance ID: DTXSID7073270
• Nikkaji Number: J110.542F
• Wikidata: Q27287835
• Mol file: 1689-78-7.mol

Synonyms:2-tert-Butylthiophene;1689-78-7;2-(TERT-BUTYL)THIOPHENE;Thiophene, 2-(1,1-dimethylethyl)-;Thiophene, 2-tert-butyl-;2-T-BUTYLTHIOPHENE;UNII-R5YF9YW3CR;R5YF9YW3CR;MFCD00089197;AI3-15885;Thiophene, (1,1-dimethylethyl)-;SCHEMBL73299;DTXSID7073270;AC4668;STK023315;AKOS000268955;AS-77914;SY014132;FT-0651111;A20782;Q27287835;1-(4-Fluorobenzoyl)-4-hydroxy-2-pyrrolidinecarboxylicacid

Chemical Property of 2-tert-Butylthiophene

Chemical Property:

• Vapor Pressure: 2.01mmHg at 25°C
• Melting Point: -59.1°C
• Refractive Index: 1.5197 (estimate)
• Boiling Point: 169.8°C at 760 mmHg
• Flash Point: 37.7°C
• PSA: 28.24000
• Density: 0.963g/cm³
• LogP: 3.04560
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: Chloroform, Methanol (Slightly)
• 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:

98%, 99% ^*data from raw suppliers

2-(tert-Butyl)thiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=CS1

Technology Process of 2-tert-Butylthiophene

There total 16 articles about 2-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: 75.0%

thiophene (188290-36-0,8014-23-1,25233-34-5) + tertiary butyl chloride (507-20-0) → 2-tert-butylthiophene (1689-78-7)

Guidance literature:

With silica chloride; at 70 ℃; for 3h;

DOI:10.5012/bkcs.2010.31.10.3038

Reference yield: 53.0%

thiophene (188290-36-0,8014-23-1,25233-34-5) + t-butyl bromide (507-19-7) → 2-tert-butylthiophene (1689-78-7)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at -78 - 20 ℃; for 21h;

Reference yield:

t-butyl bromide (507-19-7) + 2-thienylmercury chloride (5857-39-6) → thiophene (188290-36-0,8014-23-1,25233-34-5) + 2-tert-butylthiophene (1689-78-7) + 2,5-di-tert-butylthiophene (1689-77-6) + tertiary butyl chloride (507-20-0) + isobutene (115-11-7,15220-85-6)

Guidance literature:

In neat (no solvent); Product distribution;

DOI:10.1016/S0040-4020(01)87801-7

upstream raw materials:

thiophene

tertiary butyl chloride

isobutene

2,2-dimethylpropane

Downstream raw materials:

1-[5-(1,1-Dimethylethyl)-2-thienyl]ethanone

5-(tert-butyl)thiophene-2-carboxylic acid

ethyl 4-<<4-(5-tert-butyl-thiophen-2-yl)-2,2-dimethyl-(2H)-thiochromen-6-yl>ethynyl>-benzoate

bis(5-t-butyl-2-thienyl)diphenyltin(IV)

Refernces

• 1、 Kutz,Corson. "-". . p. 1477. Retrieved 1949.
• 2、 Chen, Jun-Jia,Zeng, Jia-Hao,Yang, Ying,Liu, Zhi-Kai,Jiang, Ya-Nan,Li, Miao-Ran,Chen, Li,Zhan, Zhuang-Ping. "A Bithiophene-Promoted ppm Levels of Palladium-Catalyzed Regioselective Hydrosilylation of Terminal Allenes". . p. 2360 - 2366. Retrieved 2020/04/28.
• 3、 Mohanazadeh, Farajollah,Amini, Homira. "Silica chloride mediated alkylation of electron-rich aromatics by benzyl or tert-butyl chloride". experimental part. p. 3038 - 3040. Retrieved 2012/04/17.