1,3-Benzenedicarbonyl dichloride, 5-ethynyl-

Base Information

• Chemical Name: 1,3-Benzenedicarbonyl dichloride, 5-ethynyl-
• CAS No.: 393543-05-0
• Molecular Formula: C10H4Cl2O2
• Molecular Weight: 227.047
• DSSTox Substance ID: DTXSID70477220
• Nikkaji Number: J2.966.831K
• Wikidata: Q82309554

Synonyms:393543-05-0;1,3-Benzenedicarbonyl dichloride, 5-ethynyl-;SCHEMBL2709003;DTXSID70477220

Chemical Property of 1,3-Benzenedicarbonyl dichloride, 5-ethynyl-

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 225.9588348
• Heavy Atom Count: 14
• Complexity: 281

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1=CC(=CC(=C1)C(=O)Cl)C(=O)Cl

Technology Process of 1,3-Benzenedicarbonyl dichloride, 5-ethynyl-

There total 2 articles about 1,3-Benzenedicarbonyl dichloride, 5-ethynyl- 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: 19.0%

dipotassium 5-ethynylisophthalate → 5-ethynylisophthalic acid chloride (393543-05-0)

Guidance literature:

With thionyl chloride; hydroquinone; In N-methyl-acetamide; diethyl ether; chloroform;

Reference yield:

5-ethynyl-1,3-benzenedicarboxylic acid (432025-97-3) → 5-ethynylisophthalic acid chloride (393543-05-0)

Guidance literature:

With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 2h; Schlenk technique; Inert atmosphere;

DOI:10.1002/anie.202014511

Reference yield:

5-ethynylisophthalic acid chloride (393543-05-0) + 2,3,4,5,6-pentafluorophenol (771-61-9) → bis(perfluorophenyl) 5-ethynylisophthalate

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 64h; Inert atmosphere;

DOI:10.1002/anie.202014511

upstream raw materials:

5-ethynyl-1,3-benzenedicarboxylic acid

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 393543-05-0 1,3-Benzenedicarbonyl dichloride, 5-ethynyl-

Send

Send

Metric Ton KG G Pound L ML

Send

Send