2-Octylthiophene

Base Information

• Chemical Name: 2-Octylthiophene
• CAS No.: 880-36-4
• Molecular Formula: C12H20 S
• Molecular Weight: 196.357
• Hs Code.: 2934999090
• European Community (EC) Number: 212-913-3
• DSSTox Substance ID: DTXSID70236753
• Nikkaji Number: J102.171K
• Wikidata: Q83118792
• Mol file: 880-36-4.mol

Synonyms:2-n-octylthiophene

Chemical Property of 2-Octylthiophene

Chemical Property:

• Vapor Pressure: 0.0226mmHg at 25°C
• Melting Point: -19.15°C (estimate)
• Refractive Index: 1.4920
• Boiling Point: 127-129°C 12mm
• Flash Point: 127-129°C/12mm
• PSA: 28.24000
• Density: 0.921
• LogP: 4.65110
• Storage Temp.: 0-10°C
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 196.12857181
• Heavy Atom Count: 13
• Complexity: 112

Purity/Quality:

98% ^*data from raw suppliers

2-n-Octylthiophene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC1=CC=CS1

Technology Process of 2-Octylthiophene

There total 20 articles about 2-Octylthiophene 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: 100.0%

thiophene (188290-36-0,8014-23-1,25233-34-5) + 1-bromo-octane (111-83-1) → 2-octylthiophene (880-36-4)

Guidance literature:

thiophene; With n-butyllithium; In tetrahydrofuran; hexane; at -80 ℃; for 0.25h; Inert atmosphere;

1-bromo-octane; In tetrahydrofuran; hexane; at -80 - 20 ℃;

With water; In tetrahydrofuran; hexane;

Reference yield: 100.0%

thiophene (188290-36-0,8014-23-1,25233-34-5) + 1-Iodooctane (629-27-6) → 2-octylthiophene (880-36-4)

Guidance literature:

thiophene; With n-butyllithium; In tetrahydrofuran; at -80 ℃; for 0.25h;

1-Iodooctane; In tetrahydrofuran; at -80 - 20 ℃;

DOI:10.1016/j.tet.2010.09.086

Reference yield: 89.0%

2-bromothiophene (1003-09-4) + 1-bromo-octane (111-83-1) → 2-octylthiophene (880-36-4)

Guidance literature:

2-bromothiophene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 2h; Inert atmosphere;

1-bromo-octane; In tetrahydrofuran; hexane; at 20 ℃; for 0.5h;

upstream raw materials:

thiophene

1-bromo-octane

2-Iodothiophene

8-[2]thienyl-octan-2-one

Downstream raw materials:

n-henicosanol

methyl heneicosanoate

5-octyl-2,2’-bithiophene

n-octylsulfanylbenzene

Refernces

• 1、 -. "Synthesis of 1,3,6,8-tetra-substituted pyrene derivatives and application of pyrene derivatives in organic field-effect transistors". Paragraph 0013; 0017; 0018. . Retrieved 2019/10/01.
• 2、 Iwasaki, Takanori,Shimizu, Ryohei,Imanishi, Reiko,Kuniyasu, Hitoshi,Kambe, Nobuaki. "Cross-coupling reaction of alkyl halides with alkyl grignard reagents catalyzed by cp-iron complexes in the presence of 1,3-butadiene". supporting information. p. 763 - 766. Retrieved 2018/05/29.