1-Cyclohexyl-1-butanol

Base Information

• Chemical Name: 1-Cyclohexyl-1-butanol
• CAS No.: 4352-42-5
• Deprecated CAS: 106756-99-4
• Molecular Formula: C₁₀H₂₀O
• Molecular Weight: 156.268
• European Community (EC) Number: 224-419-5
• DSSTox Substance ID: DTXSID40884063
• Nikkaji Number: J205.727A
• Mol file: 4352-42-5.mol

Synonyms:1-Cyclohexyl-1-butanol;4352-42-5;1-cyclohexylbutan-1-ol;Cyclohexanemethanol, .alpha.-propyl-;alpha-Propylcyclohexanemethanol;Cyclohexanemethanol, alpha-propyl-;EINECS 224-419-5;Zyklohexyl-Butanol;(1-Hydroxybutyl)cyclohexane;SCHEMBL887649;MTUCYAOJXPTLHZ-UHFFFAOYSA-;DTXSID40884063;MFCD00019360;AKOS009158705;NCGC00160585-01;CS-0332271;FT-0635245;D89431

Chemical Property of 1-Cyclohexyl-1-butanol

Chemical Property:

• Refractive Index: 1.4660
• Boiling Point: 228.2°Cat760mmHg
• PKA: 15.24±0.20(Predicted)
• Flash Point: 100.1°C
• PSA: 20.23000
• Density: 0.905g/cm³
• LogP: 2.72770
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 156.151415257
• Heavy Atom Count: 11
• Complexity: 95

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Cyclohexyl-1-butanol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC(C1CCCCC1)O

Technology Process of 1-Cyclohexyl-1-butanol

There total 25 articles about 1-Cyclohexyl-1-butanol 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: 85.0%

propiophenone (495-40-9) → 1-cyclohexyl-1-butanol (62039-12-7,106756-99-4,122441-22-9,4352-42-5)

Guidance literature:

With tetrahydroxydiboron; [Rh(OH)(cod)]2; In ethanol; at 50 ℃; for 18h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.1c00341

Reference yield: 78.0%

propionaldehyde (123-38-6) → 1-cyclohexyl-1-butanol (62039-12-7,106756-99-4,122441-22-9,4352-42-5)

Guidance literature:

With boron trifluoride diethyl etherate; In tetrahydrofuran; -78 deg C up to -30 deg C within 1 h, stir. 16 h;

DOI:10.1016/S0040-4039(00)80372-X

Reference yield: 70.0%

n-propylmagnesium bromide (927-77-5) + O-(1-Benzotriazol-1-yl-1-cyclohexylmethyl)benzophenone oxime (145904-33-2) → Benzophenone imine (1013-88-3) + 1-cyclohexyl-1-butanol (62039-12-7,106756-99-4,122441-22-9,4352-42-5) + Diphenyl-methanone O-(1-cyclohexyl-butyl)-oxime

Guidance literature:

In diethyl ether; toluene; Yields of byproduct given; Heating;

upstream raw materials:

butyraldehyde

cyclohexylmagnesium bromide

propiophenone

(1-Cyclohexyl-butoxy)-diethyl-silane

Downstream raw materials:

(S)-1-cyclohexyl-1-butanol

butanoyl cyclohexane

(R)-1-cyclohexyl-1-butanol

3-hexylcyclohexane

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