2-(Propan-2-yl)-1-benzothiophene

Base Information

• Chemical Name: 2-(Propan-2-yl)-1-benzothiophene
• CAS No.: 39743-75-4
• Molecular Formula: C₁₁H₁₂S
• Molecular Weight: 176.282
• NSC Number: 112993
• DSSTox Substance ID: DTXSID60296982
• Nikkaji Number: J3.449.264F
• Wikidata: Q82037858
• Mol file: 39743-75-4.mol

Synonyms:39743-75-4;2-(propan-2-yl)-1-benzothiophene;2-i-Propylbenzo[b]thiophene;NSC112993;2-isopropylbenzothiophene;SCHEMBL79534;2-i-propyl-benzo[b]thiophene;2-isopropyl-benzo[b]thiophene;DTXSID60296982;LPCZLJKNCRRQFN-UHFFFAOYSA-N;NSC-112993

Chemical Property of 2-(Propan-2-yl)-1-benzothiophene

Chemical Property:

• Vapor Pressure: 0.0192mmHg at 25°C
• Boiling Point: 261°C at 760 mmHg
• Flash Point: 81°C
• Density: 1.08g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 176.06597156
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC2=CC=CC=C2S1

Technology Process of 2-(Propan-2-yl)-1-benzothiophene

There total 6 articles about 2-(Propan-2-yl)-1-benzothiophene 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: 85.0%

2-iodo-propane (75-30-9) + Benzo[b]thiophene (95-15-8,11095-43-5) → 2-isopropylbenzo[b]thiophene (39743-75-4)

Guidance literature:

With tert.-butyl lithium; In tetrahydrofuran;

Reference yield:

2-bromo-1-benzothiophene (5394-13-8) + 2-propylzinc bromide lithium chloride → 2-isopropylbenzo[b]thiophene (39743-75-4) + 2-propylbenzothiophene (16587-32-9)

Guidance literature:

With dichloro(1,3-bis(2,6-bis(3-pentyl)phenyl)imidazolin-2-ylidene)(3-chloropyridyl)palladium(II); In tetrahydrofuran; toluene; at 0 - 23 ℃; for 1.08333h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201503941

Reference yield:

2-(2-hydroxy-2-propyl)benzothiophene (135345-58-3) → 2-isopropylbenzo[b]thiophene (39743-75-4)

Guidance literature:

With aluminum (III) chloride; lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 50 ℃;

DOI:10.1002/chem.201604562

upstream raw materials:

2-iodo-propane

Benzo[b]thiophene

2-bromo-1-benzothiophene

2-(2-hydroxy-2-propyl)benzothiophene

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 39743-75-4 2-(propan-2-yl)-1-benzothiophene

Send

Send

Metric Ton KG G Pound L ML

Send

Send