1-Ethynyl-1-methoxycyclohexane

Base Information

• Chemical Name: 1-Ethynyl-1-methoxycyclohexane
• CAS No.: 5240-36-8
• Molecular Formula: C9H14O
• Molecular Weight: 138.21
• DSSTox Substance ID: DTXSID20340495
• Nikkaji Number: J472.473I
• Wikidata: Q82110167
• Mol file: 5240-36-8.mol

Synonyms:1-Ethynyl-1-methoxycyclohexane;5240-36-8;Cyclohexane, 1-ethynyl-1-methoxy-;1-ethynyl-1-methoxy-cyclohexane;(1-Methoxycyclohexyl)acetylene;SCHEMBL3330004;DTXSID20340495;1-Ethynyl-1-methoxycyclohexane #;AKOS006238792;BS-47870;CS-0528762;E84436;EN300-2481640

Chemical Property of 1-Ethynyl-1-methoxycyclohexane

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 138.104465066
• Heavy Atom Count: 10
• Complexity: 145

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1(CCCCC1)C#C

Technology Process of 1-Ethynyl-1-methoxycyclohexane

There total 8 articles about 1-Ethynyl-1-methoxycyclohexane 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: 75.0%

1-Ethynylcyclohexan-1-ol (78-27-3) + methyl iodide (74-88-4) → 1-ethynyl-1-methoxy-cyclohexane (5240-36-8)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20 ℃;

DOI:10.1021/ol035661q

Reference yield:

methyl iodide (74-88-4) → 1-ethynyl-1-methoxy-cyclohexane (5240-36-8)

Guidance literature:

1-Ethynylcyclohexan-1-ol; With sodium hydride; In N,N-dimethyl-formamide; for 0.333333h;

methyl iodide; In N,N-dimethyl-formamide; for 1h;

Reference yield:

methyl 1,1-pentamethyleneprop-2-ynyl carbonate (61699-43-2) → 1-ethynyl-1-methoxy-cyclohexane (5240-36-8)

Guidance literature:

With silver hexafluoroantimonate; (triphenylphosphine)gold(I) chloride; In tetrahydrofuran; at 60 ℃; for 10h; Inert atmosphere; Schlenk technique;

DOI:10.1002/adsc.201401094

upstream raw materials:

1-Ethynylcyclohexan-1-ol

methanol

1-ethynyl-1-chlorocyclohexane

dimethyl sulfate

Downstream raw materials:

3-Diethylamino-1-<1-methoxy-cyclohexyl>-propin-(1)

1-(1-Methoxy-cyclohexyl)-butin-⁽¹⁾

1-(4-hydroxy-4-phenyl-1-butynyl)-1-methoxycyclohexane

3-(1-Methoxy-cyclohexyl)-1-phenyl-propynone

Refernces

• 1、 -. "THIAZOLYL-DIHYDRO-QUINAZOLINE". Page/Page column 12-13. . Retrieved 2008/06/13.
• 2、 Gilly,Taillandier,Pera,Luu-Duc,Demenge,De Catanho. "α-Methoxy-O-(N-arylcarbamoyl)oximes: Synthesis and pharmacological activities". . p. 365 - 370. Retrieved 2007/10/03.