2,4-Dichloro-1-ethynylbenzene

Base Information

• Chemical Name: 2,4-Dichloro-1-ethynylbenzene
• CAS No.: 75717-77-0
• Molecular Formula: C8H4Cl2
• Molecular Weight: 171.026
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID70505299
• Nikkaji Number: J642.656E
• Wikidata: Q82360305
• Mol file: 75717-77-0.mol

Synonyms:2,4-dichloro-1-ethynylbenzene;75717-77-0;2,4-Dichlorophenylacetylene;MFCD11655752;Benzene, 2,4-dichloro-1-ethynyl-;SCHEMBL2783347;DTXSID70505299;RMSZXRRYRZBYTC-UHFFFAOYSA-N;AKOS012333111;AB92910;AM804326;AS-19687;SY023558;CS-0038398;FT-0726812;EN300-1254697;A865629;J-507112

Chemical Property of 2,4-Dichloro-1-ethynylbenzene

Chemical Property:

• PSA: 0.00000
• LogP: 2.97470
• Storage Temp.: 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 169.9690055
• Heavy Atom Count: 10
• Complexity: 156

Purity/Quality:

98%Min ^*data from raw suppliers

2,4-Dichloro-1-Ethynylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Dichloro-1-ethynylbenzene

There total 14 articles about 2,4-Dichloro-1-ethynylbenzene 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: 91.0%

C9H6Br2Cl2O2 → 1-(2-((2,4-dichlorophenyl)ethynyl)phenyl)ethanone (75717-77-0)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 115 ℃; for 12h;

DOI:10.1002/cjoc.201180402

Reference yield: 85.0%

2,4-dichloro-1-(2,2-dibromovinyl)benzene (212138-65-3) → 1-(2-((2,4-dichlorophenyl)ethynyl)phenyl)ethanone (75717-77-0)

Guidance literature:

With caesium carbonate; dimethyl sulfoxide; at 115 ℃; for 12h;

DOI:10.1016/j.tetlet.2010.12.071

Reference yield: 74.0%

dimethyl 1-(1-diazo-2-oxopropyl)phosphonate (90965-06-3) + 2,4-dichlorobenzaldeyhde (874-42-0) → 1-(2-((2,4-dichlorophenyl)ethynyl)phenyl)ethanone (75717-77-0)

Guidance literature:

With potassium carbonate; In methanol; for 10h;

upstream raw materials:

1-(2,4-Dichloro-phenyl)-2-[1,3,3-trimethyl-1,3-dihydro-indol-(2E)-ylidene]-ethanone

1,3,3-trimethyl-2-(α-chloro-2,4-dichlorostyryl)indolenium chloride

2,4-dichlorophenyl trifluoromethanesulfonate

2,4-dichlorophenol

Downstream raw materials:

2-(2,4-dichlorophenyl)-imidazo[1,2-a]pyridine

Refernces

• 1、 Zhao, Ming,Kuang, Chunxiang,Yang, Qing,Cheng, Xuezhi. "Cs2CO3-mediated synthesis of terminal alkynes from 1,1-dibromo-1-alkenes". scheme or table. p. 992 - 994. Retrieved 2011/03/22.
• 2、 Musso, David L,Clarke, Morris J,Kelley, James L,Boswell, G Evan,Chen, Grace. "Novel 3-phenylprop-2-ynylamines as inhibitors of mammalian squalene epoxidase.". . p. 498 - 506. Retrieved 2007/10/03.