1,4-Dichloro-2-ethynylbenzene

Base Information

• Chemical Name: 1,4-Dichloro-2-ethynylbenzene
• CAS No.: 38417-89-9
• Molecular Formula: C8H4Cl2
• Molecular Weight: 171.026
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID20505300
• Wikidata: Q82360306
• Mol file: 38417-89-9.mol

Synonyms:1,4-dichloro-2-ethynylbenzene;38417-89-9;1,4-DICHLORO-2-ETHYNYL-BENZENE;SCHEMBL718733;DTXSID20505300;HBRQLSFKMQAUJB-UHFFFAOYSA-N;Benzene, 1,4-dichloro-2-ethynyl-;AKOS010651486;CS-0225387;A18715;EN300-1236649;A1-06470;J-503984;F8885-7477

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

Chemical Property:

• PSA: 0.00000
• LogP: 2.97470
• XLogP3: 3.4
• 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:

97% ^*data from raw suppliers

1,4-Dichloro-2-ethynylbenzene 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 9 articles about 1,4-Dichloro-2-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: 88.0%

→ (2,5-dichlorophenyl)acetylene (38417-89-9)

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃; for 1h;

Reference yield: 73.0%

2-(2,5-dichlorophenyl)trimethylsilylacetylene (556112-22-2) → (2,5-dichlorophenyl)acetylene (38417-89-9)

Guidance literature:

With potassium fluoride; In methanol; at 20 ℃; for 3h;

DOI:10.1021/jm300260v

Reference yield:

2,5-dichloro-1-trifluoromethanesulfonyloxybenzene (556112-21-1) → (2,5-dichlorophenyl)acetylene (38417-89-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 56 percent / Et₃N / Pd(PPh₃)2Cl₂ / dimethylformamide / 18 h / 70 °C

2: K₂CO₃ / methanol / 20 °C

With potassium carbonate; triethylamine; bis-triphenylphosphine-palladium(II) chloride; In methanol; N,N-dimethyl-formamide;

DOI:10.1039/b209165h

upstream raw materials:

2-(2,5-dichlorophenyl)trimethylsilylacetylene

2,5-dichlorophenol

2,5-dichloro-1-trifluoromethanesulfonyloxybenzene

2,5-dichloroacetophenone

Downstream raw materials:

4-(2,5-dichlorophenyl)-1H-1,2,3-triazole

2,5-dichloroacetophenone

1-(2,5-dichlorophenyl)ethanol

1,4,5,6-tetrachloro-7-(2,5-dichlorophenyl)bicyclo<2.2.2>-octa-5,7-diene-2,3-dione