4-chloro- Benzo[b]thiophene

Base Information

• Chemical Name: 4-chloro- Benzo[b]thiophene
• CAS No.: 66490-33-3
• Molecular Formula: C8H5ClS
• Molecular Weight: 168.647
• European Community (EC) Number: 964-933-3
• DSSTox Substance ID: DTXSID70496350
• Nikkaji Number: J2.971.585H

Synonyms:4-chlorobenzothiophene;4-Chlor-benzo[b]thiophen;Benzo[b]thiophene,4-chloro;

Chemical Property of 4-chloro- Benzo[b]thiophene

Chemical Property:

• Melting Point: 81-82 °C
• Boiling Point: 0.8 °C(Press: 155-165 Torr)
• PSA: 28.24000
• Density: 1.349±0.06 g/cm3(Predicted)
• LogP: 3.55470
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Acetone (Slightly), Chloroform (Slightly)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 167.9800490
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

99%, ^*data from raw suppliers

4-Chlorobenzothiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CS2)C(=C1)Cl
• Uses: 4-Chlorobenzothiophene is an intermediate used to prepare 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism.

Technology Process of 4-chloro- Benzo[b]thiophene

There total 5 articles about 4-chloro- Benzo[b]thiophene 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: 78.0%

2-(1-adamantylsulfanyl)-6-chlorobenzaldehyde + dimethyl 1-(1-diazo-2-oxopropyl)phosphonate (90965-06-3) → 4-chlorobenzothiophene (66490-33-3) + 1-(1-adamantylsulfanyl)-3-chloro-2-ethynylbenzene

Guidance literature:

With potassium carbonate; In tetrahydrofuran; methanol; at 0 - 20 ℃; for 19.3333h;

DOI:10.3987/COM-19-14132

Reference yield: 40.0%

(m-Chlor-phenyl-mercapto)-acetaldehyd-diaethyl-acetal (180160-64-9) → 6-chlorobenzo[b]thiophene (66490-20-8) + 4-chlorobenzothiophene (66490-33-3) + bis(3-chlorophenyl) disulfide (19742-92-8)

Guidance literature:

With PPA; Polyphosphoric acid (PPA); In chlorobenzene; for 3.75h; Heating / reflux;

Reference yield:

benzo[B]thiophen-4-ylamine (17402-83-4) → 4-chlorobenzothiophene (66490-33-3)

Guidance literature:

With hydrogenchloride; sodium nitrite; Behandeln der Reaktionsloesung mit Kupfer(I)-chlorid und wss. Salzsaeure;

DOI:10.1021/jo01365a016

upstream raw materials:

benzo[B]thiophen-4-ylamine

1-chloro-3-(2,2-dimethoxyethylsulfanyl)benzene

(m-Chlor-phenyl-mercapto)-acetaldehyd-diaethyl-acetal

2-chloro-6-fluorobenzaldehyde

Downstream raw materials:

1-benzo[b]thiophen-4-ylpiperazine hydrochloride

C₂₀H₁₈N₂S₂

Brexpiprazole

tert-butyl 4-(benzo[b]thiophen-4-yl)piperazine-1-carboxylate

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 66490-33-3 4-chloro- Benzo[b]thiophene

Send

Send

Metric Ton KG G Pound L ML

Send

Send