3,4-Dichloro-1-benzothiophene-2-carbonyl chloride

Base Information

• Chemical Name: 3,4-Dichloro-1-benzothiophene-2-carbonyl chloride
• CAS No.: 34576-86-8
• Molecular Formula: C9H3 Cl3 O S
• Molecular Weight: 265.547
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00346814
• Wikidata: Q82120105
• Mol file: 34576-86-8.mol

Synonyms:34576-86-8;3,4-Dichloro-1-benzothiophene-2-carbonyl chloride;3,4-Dichlorobenzo[b]thiophene-2-carbonyl chloride;SCHEMBL8878288;DTXSID00346814;BBL016357;MFCD01993638;STK398250;AKOS002683743;VS-05295;CS-0269004;FT-0683338;EN300-790409;A918909;3,4-Dichloro-benzo[b]thiophene-2-carbonyl chloride;3,4-Dichloro-1-benzothiophene-2-carbonyl chloride #

Chemical Property of 3,4-Dichloro-1-benzothiophene-2-carbonyl chloride

Chemical Property:

• Vapor Pressure: 8.03E-06mmHg at 25°C
• Refractive Index: 1.691
• Boiling Point: 375°Cat760mmHg
• Flash Point: 180.6°C
• PSA: 45.31000
• Density: 1.625g/cm³
• LogP: 4.58710
• Sensitive.: Moisture Sensitive
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 263.897019
• Heavy Atom Count: 14
• Complexity: 248

Purity/Quality:

97% ^*data from raw suppliers

3,4-Dichlorobenzo[b]thiophene-2-carbonylchloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)Cl)C(=C(S2)C(=O)Cl)Cl

Technology Process of 3,4-Dichloro-1-benzothiophene-2-carbonyl chloride

There total 5 articles about 3,4-Dichloro-1-benzothiophene-2-carbonyl chloride 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%

(Z)-3-(2-chlorophenyl)acrylic acid (704-96-1,939-58-2) → 3,4-Dichlor-benzo--thiophen-2-carbonsaeurechlorid (34576-86-8)

Guidance literature:

With pyridine; thionyl chloride; at 140 ℃; for 0.5h;

Reference yield: 55.0%

trans-2-chlorocinnamic acid (704-96-1,939-58-2) → 3,4-Dichlor-benzo--thiophen-2-carbonsaeurechlorid (34576-86-8)

Guidance literature:

With thionyl chloride; N-benzyl-N-methylmorpholinium chloride; at 135 - 140 ℃; for 3h;

DOI:10.1023/A:1026190103546

Reference yield: 30.0%

2-bromo-3-(2-chlorophenyl)propanoic acid (90725-44-3) → 3,4-Dichlor-benzo--thiophen-2-carbonsaeurechlorid (34576-86-8)

Guidance literature:

With thionyl chloride; N-benzyl-N-methylmorpholinium chloride; at 140 ℃; for 2.5h;

DOI:10.1023/A:1026190103546

upstream raw materials:

(Z)-3-(2-chlorophenyl)acrylic acid

trans-2-chlorocinnamic acid

2-bromo-3-(2-chlorophenyl)propanoic acid

o-chlorocinnamic acid

Downstream raw materials:

C₃₁H₃₁Cl₂N₃O₃S

C₂₇H₂₇Cl₂N₃O₃S

C₂₈H₃₁Cl₂N₃O₄S

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