1-Methylcyclooctanol

Base Information

• Chemical Name: 1-Methylcyclooctanol
• CAS No.: 59123-41-0
• Molecular Formula: C9H18O
• Molecular Weight: 142.241
• NSC Number: 103157
• DSSTox Substance ID: DTXSID10207866
• Nikkaji Number: J77.897D
• Wikidata: Q83081867
• Mol file: 59123-41-0.mol

Synonyms:1-Methylcyclooctanol;59123-41-0;1-methylcyclooctan-1-ol;Cyclooctanol, 1-methyl-;BRN 1920356;4-06-00-00128 (Beilstein Handbook Reference);1-METHYL CYCLOOCTANOL;NSC103157;methyl heptylene carbinol;WLN: L8TJ AQ A1;SCHEMBL331577;DTXSID10207866;MFCD00019725;AKOS006271753;NSC 103157;NSC-103157;LS-57705;FT-0640582

Chemical Property of 1-Methylcyclooctanol

Chemical Property:

• Vapor Pressure: 0.0565mmHg at 25°C
• Refractive Index: 1.46
• Boiling Point: 206.3 °C at 760 mmHg
• Flash Point: 82.3 °C
• PSA: 20.23000
• Density: 0.904 g/cm³
• LogP: 2.48170
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 142.135765193
• Heavy Atom Count: 10
• Complexity: 90.9

Purity/Quality:

99% ^*data from raw suppliers

1-Methylcyclooctanol 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCCCCC1)O

Technology Process of 1-Methylcyclooctanol

There total 7 articles about 1-Methylcyclooctanol 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-oxaspiro[2,7]-decane (185-88-6) → 1-methylcyclooctanol (59123-41-0)

Guidance literature:

With dibutylmagnesium; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In tetrahydrofuran; at 40 ℃; for 24h; regioselective reaction;

DOI:10.1021/jacs.0c05917

Reference yield:

cycloactanone (502-49-8) + methylmagnesium bromide (75-16-1) → 1-methylcyclooctanol (59123-41-0)

Guidance literature:

In diethyl ether;

Reference yield:

non-8-en-2-one (5009-32-5) → 1-methylcyclooctanol (59123-41-0) + (±)-8-nonen-2-ol (65727-63-1)

Guidance literature:

With diethyl ether;

DOI:10.1021/ja01128a007

upstream raw materials:

non-8-en-2-one

cycloactanone

methyllithium

methylmagnesium bromide

Downstream raw materials:

1α,3β-bis(tert-butyldimethylsilyloxy)-20(S)-(1-methylcyclooctyloxycarbonylmethoxy)-9,10-secopregna-5,7,10(19),16-tetraene

Isobutyric acid 1-methyl-cyclooctyl ester

5-Amino-4-fluoro-2-(1-methylcyclooctyl)phenol

Refernces

• 1、 Guo, Qihang,Ren, Xiang,Lu, Zhan. "Controllable Intramolecular Unactivated C(sp3)-H Amination and Oxygenation of Carbamates". supporting information. p. 880 - 884. Retrieved 2019/05/16.
• 2、 -. "Cycloalkyl esters of mercaptoalkanoic acids". . . Retrieved 2008/06/13.