Sedenol

Base Information

• Chemical Name: Sedenol
• CAS No.: 13957-27-2
• Molecular Formula: C8H11 Br O
• Molecular Weight: 203.079
• DSSTox Substance ID: DTXSID60161106
• Nikkaji Number: J55.434K
• Wikidata: Q83029474
• Mol file: 13957-27-2.mol

Synonyms:Sedenol;1-(bromoethynyl)cyclohexanol;13957-27-2;1-Bromoethynylcyclohexanol;1-(2-Bromoethynyl)cyclohexanol;Cyclohexanol, 1-(bromoethynyl)-;BRN 1524645;1-Bromoaethinyl-cyclohexanol-(1) [German];1-(2-Bromoethynyl)cyclohexanole;1-Bromoaethinyl-cyclohexanol-(1);Cyclohexanol, 1-(2-bromoethynyl)-;4-06-00-00352 (Beilstein Handbook Reference);1-(2-bromoethynyl)cyclohexan-1-ol;C8H11BrO;SNMGSXAAVQCPGL-UHFFFAOYSA-;1-(Bromoethynyl)cyclohexan-1-ol;DTXSID60161106;MFCD01175816;STK664286;AKOS003236890;LS-57052;CS-0328796;EU-0018633;Cyclohexanol, 1-(bromoethynyl)- (6CI,7CI,8CI,9CI)

Chemical Property of Sedenol

Chemical Property:

• Vapor Pressure: 0.00107mmHg at 25°C
• Boiling Point: 267.9°Cat760mmHg
• Flash Point: 115.8°C
• PSA: 20.23000
• Density: 1.48g/cm³
• LogP: 2.03740
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 201.99933
• Heavy Atom Count: 10
• Complexity: 168

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(C#CBr)O

Technology Process of Sedenol

There total 3 articles about Sedenol 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: 98.0%

→ 1-(2-bromoethynyl)cyclohexanol (13957-27-2)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; at 25 ℃; for 3h;

Reference yield: 85.0%

1-Ethynylcyclohexan-1-ol (78-27-3) → 1-(2-bromoethynyl)cyclohexanol (13957-27-2)

Guidance literature:

With potassium hydroxide; potassium hypobromite; In pentane; for 0.5h; Ambient temperature;

Reference yield:

bromoethyne (593-61-3) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-(2-bromoethynyl)cyclohexanol (13957-27-2)

Guidance literature:

bromoethyne; With n-butyllithium; In tetrahydrofuran; hexane; at -40 ℃; for 1h;

cyclohexanone; In tetrahydrofuran; hexane; at -40 - 20 ℃;

DOI:10.1002/chem.201503171

upstream raw materials:

1-Ethynylcyclohexan-1-ol

bromoethyne

cyclohexanone

Downstream raw materials:

3-(1-bromoethynyl-cyclohexyloxy)-propionitrile

7-<1-Hydroxy-cyclohexyl>-hepta-4,6-diinsaeure-methylester

1-((Z)-6-Butoxy-hex-5-ene-1,3-diynyl)-cyclohexanol

9-<1-Hydroxy-cyclohexyl>-nona-4.6.8-triinsaeure-methylester