1-CHLORO-2-ETHYNYLBENZENE

Base Information

• Chemical Name: 1-CHLORO-2-ETHYNYLBENZENE
• CAS No.: 873-31-4
• Molecular Formula: C8H5 Cl
• Molecular Weight: 136.581
• Hs Code.: 29036990
• Mol file: 873-31-4.mol

Synonyms:Benzene,1-chloro-2-ethinyl- (3CI); (2-Chlorophenyl)acetylene; (2-Chlorophenyl)ethyne;(o-Chlorophenyl)acetylene; 1-Chloro-2-ethynylbenzene

Chemical Property of 1-CHLORO-2-ETHYNYLBENZENE

Chemical Property:

• Appearance/Colour: Colourless Liquid
• Vapor Pressure: 0.744mmHg at 25°C
• Refractive Index: n20/D 1.5710(lit.)
• Boiling Point: 64-65/15mm
• Flash Point: 70 ºC
• PSA: 0.00000
• Density: 1.125
• LogP: 2.32130
• Storage Temp.: Keep Cold
• Solubility.: Soluble in hexane.

Purity/Quality:

98% min ^*data from raw suppliers

2-Chlorophenylacetylene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1-Chloro-2-ethynylbenzene may be used in the synthesis of 4-(2-chlorophenylethynyl)-3-methyl-5-phenylisoxazole.

Technology Process of 1-CHLORO-2-ETHYNYLBENZENE

There total 25 articles about 1-CHLORO-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: 92.0%

1-chloro-2-(2,2-dibromovinyl)benzene (401514-40-7) → 2-chlorophenylacetylene (873-31-4)

Guidance literature:

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

DOI:10.1016/j.tetlet.2010.12.071

Reference yield: 92.0%

(2RS,3SR)-2,3-dibromo-3-(2-chlorophenyl)propanoic acid (24654-07-7,119450-02-1) → 2-chlorophenylacetylene (873-31-4)

Guidance literature:

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

DOI:10.1002/cjoc.201180402

Reference yield: 90.0%

(Z)-1-(2-bromovinyl)-2-chlorobenzene (187463-09-8) → 2-chlorophenylacetylene (873-31-4)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; for 1h; microwave irradiation;

DOI:10.1016/j.tet.2005.02.043

upstream raw materials:

1,1,1-Trichlor-2-o-chlorphenyl-2-trimethylsiloxyethan

1-(2,2-dichlorovinyl)-2-chlorobenzene

2-chloro-benzaldehyde

chloromethyl(triphenyl)phosphonium iodide

Downstream raw materials:

(3S,5S,8R,9S,10S,13R,14S,17R)-3-(2-Chloro-phenylethynyl)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol

(3R,5S,8R,9S,10S,13R,14S,17R)-3-(2-Chloro-phenylethynyl)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol

(Z)-2-chlorostyryl phenyl telluride

1,4-bis(o-chlorophenyl)buta-1,3-diyne

Refernces

• 1、 Durner, Anna,Koufaki, Maria,Kritsi, Eftichia,Nicke, Annette,Papakostas, Alexios,T. Pournara, Dimitra,Zoumpoulakis, Panagiotis. "Design, Synthesis, and in vitro Evaluation of P2X7 Antagonists". . p. 2530 - 2543. Retrieved 2020/10/19.
• 2、 Liang, Hao,He, Xiaobo,Zhang, Yaqi,Chen, Bin,Ouyang, Jia-Sheng,Li, Yongsu,Pan, Bendu,Subba Reddy, Chitreddy V.,Chan, Wesley Ting Kwok,Qiu, Liqin. "Copper-catalyzed (4+1) and (3+2) cyclizations of iodonium ylides with alkynes". . p. 11429 - 11432. Retrieved 2020/10/12.