1-Butylcyclohexanol

Base Information

• Chemical Name: 1-Butylcyclohexanol
• CAS No.: 5445-30-7
• Molecular Formula: C10H20 O
• Molecular Weight: 156.268
• Hs Code.: 2906199090
• European Community (EC) Number: 637-278-3
• NSC Number: 21990
• DSSTox Substance ID: DTXSID10202851
• Nikkaji Number: J185.959E
• Wikidata: Q83076180
• Mol file: 5445-30-7.mol

Synonyms:1-Butylcyclohexanol;5445-30-7;1-butylcyclohexan-1-ol;1-n-Butylcyclohexanol;Cyclohexanol, 1-butyl-;1-Butyl-cyclohexanol;MFCD00021404;butylcyclohexanol;Butyl cyclohexanol;NSC21990;1-butyl-cyclohexan-1-ol;1-N-Butylcyclohexanol,98%;SCHEMBL196725;DTXSID10202851;NSC 21990;NSC-21990;AKOS005256540;SB85069;TS-02077;FT-0690997

Chemical Property of 1-Butylcyclohexanol

Chemical Property:

• Vapor Pressure: 0.0425mmHg at 25°C
• Boiling Point: 210.9°Cat760mmHg
• Flash Point: 84.6°C
• PSA: 20.23000
• Density: 0.906g/cm³
• LogP: 2.87180
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 156.151415257
• Heavy Atom Count: 11
• Complexity: 103

Purity/Quality:

99% ^*data from raw suppliers

1-Butylcyclohexanol 97% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCC1(CCCCC1)O
• Uses: Intermediates of Liquid Crystals

Technology Process of 1-Butylcyclohexanol

There total 29 articles about 1-Butylcyclohexanol 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%

n-butyllithium (109-72-8,29786-93-4) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-butyl-cyclohexanol (5445-30-7)

Guidance literature:

With cerium(III) chloride; at -78 ℃; for 3h; Product distribution; other organometallics;

DOI:10.1021/jo00195a006

Reference yield: 94.0%

1-Butyl-1-(2-methoxy-ethoxymethoxy)-cyclohexane (87770-94-3) → 1-butyl-cyclohexanol (5445-30-7)

Guidance literature:

With dimethylboron bromide; triethylamine; In dichloromethane; 1,2-dichloro-ethane; at -78 ℃; for 1h;

DOI:10.1016/S0040-4039(00)88238-6

Reference yield: 86.0%

1,3-dioxolane-2-spirocyclohexane (177-10-6) + n-butyllithium (109-72-8,29786-93-4) → 1-butyl-cyclohexanol (5445-30-7)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; In hexane; for 1.5h;

upstream raw materials:

n-butyl magnesium bromide

cyclohexanone

1-bromo-butane

n-butyllithium

Downstream raw materials:

1-(3-Hydroxybutyl)cyclohexanol

1-butylcyclohexylhydroperoxide

1-butylcyclohexylamine

2-methyl-5-pentamethylenetetrahydrofuran

Refernces

• 1、 Ganiu, Moshood O.,Cleveland, Alexander H.,Paul, Jarrod L.,Kartika, Rendy. "Triphosgene and DMAP as Mild Reagents for Chemoselective Dehydration of Tertiary Alcohols". supporting information. p. 5611 - 5615. Retrieved 2019/08/01.
• 2、 Fleming, Fraser F.,Gudipati, Subrahmanyam,Vu, Viet Anh,Mycka, Robert J.,Knochel, Paul. "Grignard reagents: Alkoxide-directed iodine-magnesium exchange at sp 3 centers". . p. 4507 - 4509. Retrieved 2008/03/11.