1-Cyclohexylprop-2-yn-1-ol

Base Information

• Chemical Name: 1-Cyclohexylprop-2-yn-1-ol
• CAS No.: 4187-88-6
• Molecular Formula: C₉H₁₄O
• Molecular Weight: 138.21
• DSSTox Substance ID: DTXSID10962029
• Nikkaji Number: J113.481G
• Mol file: 4187-88-6.mol

Synonyms:1-cyclohexylprop-2-yn-1-ol;4187-88-6;2-Propyn-1-ol, 1-cyclohexyl-;Cyclohexanemethanol, alpha-ethynyl-;UPCMLD00WV-117;1-cyclohexyl-2-propyn-1-ol;3-cyclohexyl-1-propyn-3-ol;SCHEMBL612202;DTXSID10962029;MFCD01694792;AKOS014246562;AB92202;LS-125787;CS-0327391

Chemical Property of 1-Cyclohexylprop-2-yn-1-ol

Chemical Property:

• Vapor Pressure: 0.0345mmHg at 25°C
• Boiling Point: 214.3°Cat760mmHg
• Flash Point: 147.5°C
• PSA: 20.23000
• Density: 0.988g/cm³
• LogP: 1.56080
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 138.104465066
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

1-cyclohexylprop-2-yn-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC(C1CCCCC1)O

Technology Process of 1-Cyclohexylprop-2-yn-1-ol

There total 14 articles about 1-Cyclohexylprop-2-yn-1-ol 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: 99.0%

cyclohexanecarbaldehyde (2043-61-0) + acetylenemagnesium bromide (4301-14-8) → 1-cyclohexylprop-2-yn-1-ol (97563-45-6,105880-38-4,128241-52-1,4187-88-6)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 2.5h; Inert atmosphere;

DOI:10.1002/anie.201506882

Reference yield: 93.0%

calcium carbide (75-20-7) + cyclohexanecarbaldehyde (2043-61-0) → 1-cyclohexylprop-2-yn-1-ol (97563-45-6,105880-38-4,128241-52-1,4187-88-6)

Guidance literature:

With tetrabutyl ammonium fluoride; water; In dimethyl sulfoxide; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/acs.orglett.5b01219

Reference yield: 91.0%

(+/-)-1-cyclohexyl-3-(trimethylsilyl)-2-propynol (133216-88-3,112497-25-3) → 1-cyclohexylprop-2-yn-1-ol (97563-45-6,105880-38-4,128241-52-1,4187-88-6)

Guidance literature:

With potassium carbonate; In methanol;

DOI:10.1021/acs.joc.9b00887

upstream raw materials:

cyclohexanecarbaldehyde

lithium acetylide

n-butyllithium

acetylene

Downstream raw materials:

7.10-Diphenyl-8-(cyclohexyl-hydroxymethyl)-fluoranthen

1-cyclohexyl-2-propyn-1-one

1-(1-Cyclohexyl-2-propinyl)phenylcarbonat

(R)-5-Cyclohexyl-2-methyl-penta-3,4-dienoic acid ethyl ester

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