1-Cyclohexyl-1-pentanol

Base Information

• Chemical Name: 1-Cyclohexyl-1-pentanol
• CAS No.: 7338-43-4
• Molecular Formula: C₁₁H₂₂O
• Molecular Weight: 170.295
• European Community (EC) Number: 663-321-0
• DSSTox Substance ID: DTXSID50918348
• Nikkaji Number: J1.083.134B
• Mol file: 7338-43-4.mol

Synonyms:1-Cyclohexyl-1-pentanol;7338-43-4;1-cyclohexylpentan-1-ol;93548-33-5;cyclohexylpentanol-1;1-cyclohexyl-pentan-1-ol;Cyclohexanemethanol,a-butyl-;(1-Hydroxypentyl)cyclohexane;SCHEMBL3155145;PKXSPCMDZCKLCI-UHFFFAOYSA-;DTXSID50918348;PKXSPCMDZCKLCI-UHFFFAOYSA-N;MFCD00045483;AKOS009158342;(-)-1-CYCLOHEXYL-1-PENTANOL;CS-0358146;FT-0636442;InChI=1/C11H22O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h10-12H,2-9H2,1H3

Chemical Property of 1-Cyclohexyl-1-pentanol

Chemical Property:

• Vapor Pressure: 0.0156mmHg at 25°C
• Refractive Index: 1.514
• Boiling Point: 243.2 °C at 760 mmHg
• Flash Point: 107.9 °C
• PSA: 20.23000
• Density: 0.9 g/cm³
• LogP: 3.11780
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 170.167065321
• Heavy Atom Count: 12
• Complexity: 106

Purity/Quality:

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

1-Cyclohexyl-1-pentanol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C1CCCCC1)O

Technology Process of 1-Cyclohexyl-1-pentanol

There total 28 articles about 1-Cyclohexyl-1-pentanol 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-butyl magnesium bromide (693-03-8) + cyclohexanecarbaldehyde (2043-61-0) → (+/-)-1-cyclohexyl-1-pentanol (63126-49-8,93548-33-5,114376-32-8,7338-43-4)

Guidance literature:

n-butyl magnesium bromide; With manganese(ll) chloride; In tetrahydrofuran; at 0 ℃; for 0.333333h;

cyclohexanecarbaldehyde; In tetrahydrofuran; at -78 ℃; for 0.333333h;

DOI:10.1246/bcsj.70.2297

Reference yield: 97.0%

n-butyl magnesium bromide (693-03-8) + cyclohexanecarbaldehyde (2043-61-0) → 1-Cyclohexyl-2-(trimethylsilyl)ethanol (55629-30-6) + (+/-)-1-cyclohexyl-1-pentanol (63126-49-8,93548-33-5,114376-32-8,7338-43-4)

Guidance literature:

n-butyl magnesium bromide; Me₃SiCH₂MgX; With manganese(ll) chloride; In tetrahydrofuran; at 0 ℃; for 0.333333h;

cyclohexanecarbaldehyde; In tetrahydrofuran; at -78 ℃; for 0.333333h;

DOI:10.1246/bcsj.70.2297

Reference yield: 89.0%

n-butyl magnesium bromide (693-03-8) + cyclohexanecarbaldehyde (2043-61-0) → 1-cyclohexyl-3-buten-1-ol (69036-26-6) + (+/-)-1-cyclohexyl-1-pentanol (63126-49-8,93548-33-5,114376-32-8,7338-43-4)

Guidance literature:

n-butyl magnesium bromide; CH₂=CHCH₂MgX; With manganese(ll) chloride; In tetrahydrofuran; at 0 ℃; for 0.333333h;

cyclohexanecarbaldehyde; In tetrahydrofuran; at -78 ℃; for 0.333333h;

DOI:10.1246/bcsj.70.2297

upstream raw materials:

4-(1-Cyclohexyl-pentyloxymethyl)-1,2-dimethoxy-benzene

4-(1-Cyclohexyl-pentyloxymethyl)-1,5-dimethoxy-naphthalene

n-butyllithium

pentanal

Downstream raw materials:

1-cyclohexyl-1-pentanone

C₁₃H₂₄O₂

(S)-(-)-1-cyclohexylpentanol

(R)-(+)-1-cyclohexylpentanol

Refernces

• 1、 Chae, Min Jung,Jeon, Ah Ram,Park, Jae Kyo,An, Duk Keun. "A novel one-pot synthesis of secondary alcohols from esters". experimental part. p. 1718 - 1720. Retrieved 2011/04/25.
• 2、 Uemura, Minoru,Yagi, Kazunari,Iwasaki, Masayuki,Nomura, Kenichi,Yorimitsu, Hideki,Oshima, Koichiro. "Pentamethylcyclopentadienide in organic synthesis: Nucleophilic addition of lithium pentamethylcyclopentadienide to carbonyl compounds and carbon-carbon bond cleavage of the adducts yielding the parent carbonyl compounds". . p. 3523 - 3535. Retrieved 2007/10/03.