2-Butylthiophene

Base Information

• Chemical Name: 2-Butylthiophene
• CAS No.: 1455-20-5
• Molecular Formula: C8H12S
• Molecular Weight: 140.249
• Hs Code.: 2934999090
• European Community (EC) Number: 215-935-1
• DSSTox Substance ID: DTXSID80163081
• Nikkaji Number: J45.608J
• Wikidata: Q63409709
• Mol file: 1455-20-5.mol

Synonyms:2-n-butylthiophene

Chemical Property of 2-Butylthiophene

Chemical Property:

• Vapor Pressure: 1.18mmHg at 25°C
• Melting Point: -56.9°C (estimate)
• Refractive Index: 1.5020
• Boiling Point: 181 °C at 760 mmHg
• Flash Point: 43.1 °C
• PSA: 28.24000
• Density: 0.97 g/cm³
• LogP: 3.09070
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Soluble in acetone and DMSO.
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 140.06597156
• Heavy Atom Count: 9
• Complexity: 71

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Butylthiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-22
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=CS1
• Uses: 2-n-Butylthiophene is an inhibitor of DMH-induced aberrant crypt formation. It is used as a Glutathione S-transferase inducer. It Inhibits tumorigenesis in vivo. It is used as a primary and secondary intermediate.

Technology Process of 2-Butylthiophene

There total 16 articles about 2-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: 92.1%

1,4-dibromo-butane (110-52-1) → 2-butylthiophene (1455-20-5)

Guidance literature:

With n-butyllithium;

Reference yield: 81.0%

n-butyl magnesium bromide (693-03-8) + 2,5-dibromothiophen (3141-27-3) → thiophene (188290-36-0,8014-23-1,25233-34-5) + 2-butylthiophene (1455-20-5)

Guidance literature:

dichloro[propane-1,3-diylbis(diphenylphosphane)]nickel(II); In diethyl ether; for 22h; Ambient temperature;

DOI:10.1016/0040-4020(82)80117-8

Reference yield: 80.0%

α-Propylthiophenmethanol (138767-12-1) → 2-butylthiophene (1455-20-5)

Guidance literature:

With chloro-trimethyl-silane; sodium iodide; In acetonitrile; 0 deg C then up to r.t.;

DOI:10.1016/0040-4020(95)00659-V

upstream raw materials:

thiophene

1-bromo-butane

buta-1,3-diene

2-Iodothiophene

Downstream raw materials:

5-n-butylthiophene-2-carboxylic acid

5-n-butylthiophene-2-carbaldehyde

nonyl alcohol

5-(5-butylthiophen-2-yl)-3-(4-octylphenyl)-isoxazole

Refernces

• 1、 Mobin, Shaikh M.,Tauqeer, Mohd.,Mohammad, Akbar,Mishra, Veenu,Kumari, Pratibha. "Thiophene-containing thiolato dimers, oxygen inserted Cu(II) complex, crystal structures, molecular docking and theoretical studies". . p. 2015 - 2023. Retrieved 2016.
• 2、 -. "CATALYST COMPOSITION INCLUDING NOVEL TRANSITION METAL COMPOUND". . . Retrieved 2018/08/03.