1-Chloro-1-ethynylcyclohexane

Base Information

• Chemical Name: 1-Chloro-1-ethynylcyclohexane
• CAS No.: 6209-75-2
• Molecular Formula: C8H11 Cl
• Molecular Weight: 142.628
• Hs Code.: 2903890090
• DSSTox Substance ID: DTXSID20211131
• Nikkaji Number: J48.542J
• Wikidata: Q83085987
• Mol file: 6209-75-2.mol

Synonyms:1-Chloro-1-ethynylcyclohexane;6209-75-2;Cyclohexane, 1-chloro-1-ethynyl-;1-Ethynylcyclohexyl chloride;BRN 1927493;Cyclohexane, 1-chloro-1-ethynyl- (6CI, 7CI, 8CI, 9CI);C8H11Cl;1-ethynyl-1-chlorocyclohexane;SCHEMBL6977983;1-ETHYNYLCHLOROCYCLOHEXAN;DTXSID20211131;MFCD01734681;AKOS006240686;LS-56755

Chemical Property of 1-Chloro-1-ethynylcyclohexane

Chemical Property:

• Vapor Pressure: 2.28mmHg at 25°C
• Boiling Point: 167.1°C at 760 mmHg
• Flash Point: 50.5°C
• PSA: 0.00000
• Density: 1.02g/cm³
• LogP: 2.56130
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 142.0549280
• Heavy Atom Count: 9
• Complexity: 134

Purity/Quality:

97% ^*data from raw suppliers

CYCLOHEXANE, 1-CHLORO-1-ETHYNYL- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1(CCCCC1)Cl

Technology Process of 1-Chloro-1-ethynylcyclohexane

There total 2 articles about 1-Chloro-1-ethynylcyclohexane 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: 80.0%

1-Ethynylcyclohexan-1-ol (78-27-3) → 1-ethynyl-1-chlorocyclohexane (6209-75-2)

Guidance literature:

DOI:10.1021/ja00330a041

Reference yield:

→ 1-ethynyl-1-chlorocyclohexane (6209-75-2)

Guidance literature:

Alkohol, CuCl/HCl;

Reference yield: 87.0%

tris(triphenylphosphane)(trifluoromethyl)copper(I) (325810-07-9) + 1-ethynyl-1-chlorocyclohexane (6209-75-2) → (3,3,3-trifluoroprop-1-en-1-ylidene)cyclohexane (130716-13-1)

Guidance literature:

In tetrahydrofuran; at 22 ℃; for 16h;

DOI:10.1021/ol3017287

upstream raw materials:

1-Ethynylcyclohexan-1-ol

Downstream raw materials:

1-(1-ethynylcyclohexyl)-pyrrolidine

1-(1-ethynylcyclohexyl)piperidine

1-ethynyl-cyclohexanethiol

1-Ethynylcyclohexylamine

Refernces

• 1、 Larock, R. C.,Varaprath, S.,Lau, H. H.,Fellows, C. A.. "SYNTHESIS OF ISOCOUMARINS VIA THALLATION-OLEFINATION OF BENZOIC ACIDS". . p. 5274 - 5284. Retrieved 2007/10/02.