5-Phenylpentan-1-ol

Base Information

• Chemical Name: 5-Phenylpentan-1-ol
• CAS No.: 10521-91-2
• Molecular Formula: C11H16O
• Molecular Weight: 164.247
• Hs Code.: 29062900
• European Community (EC) Number: 234-064-8
• NSC Number: 6590
• UNII: 63AX6O7ZXD
• DSSTox Substance ID: DTXSID4065107
• Nikkaji Number: J256I
• Wikidata: Q27263599
• Metabolomics Workbench ID: 44996
• Mol file: 10521-91-2.mol

Synonyms:5-phenylpentan-1-ol

Chemical Property of 5-Phenylpentan-1-ol

Chemical Property:

• Appearance/Colour: clear colorless to pale yellow liquid
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: n20/D 1.516(lit.)
• Boiling Point: 268.6 °C at 760 mmHg
• PKA: 15.17±0.10(Predicted)
• Flash Point: 100.6 °C
• PSA: 20.23000
• Density: 0.97 g/cm³
• LogP: 2.39170
• Storage Temp.: Store below +30°C.
• Water Solubility.: Not miscible in water.
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 164.120115130
• Heavy Atom Count: 12
• Complexity: 95.2

Purity/Quality:

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

5-Phenyl-1-pentanol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 23-24/25-39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCCCO
• Uses: 5-Phenyl-1-pentanol was used in the synthesis of:methoxy and fluorine analogs of N-(piperidinyl)-1-(2,4-dichlorophenyl)-4-methyl-5-(4-pentylphenyl)-1H-pyrazole-3-carboxamide (O-1302)2-[5-(4-iodophenyl)-pentyl]oxirane-2-carboxylic acid ethyl ester

Technology Process of 5-Phenylpentan-1-ol

There total 76 articles about 5-Phenylpentan-1-ol 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: 99.0%

2-(3-methylhexa-3,5-dienyl)oxetane (94399-80-1) → 5-phenylpentan-1-ol (10521-91-2)

Guidance literature:

With chloro-trimethyl-silane; Ti(OⁱPr)[{(O-2,4-Me₂C₆H₂)-6-CH₂}₃N]; cyclohexa-1,4-diene; magnesium; In tetrahydrofuran; at 40 - 50 ℃; for 12h; Reagent/catalyst; regioselective reaction; Inert atmosphere;

DOI:10.1002/adsc.201300368

Reference yield: 95.0%

2-(5-Phenyl-pentyloxy)-isoindole-1,3-dione → 5-phenylpentan-1-ol (10521-91-2)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; for 2h; Heating;

DOI:10.1055/s-1998-1711

Reference yield: 95.0%

2,3-bis-benzylsulfanyl-5-phenyl-pentanal → 5-phenylpentan-1-ol (10521-91-2)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); n-Bu₃SH; In benzene; Heating;

DOI:10.1016/S0040-4039(00)00087-3

upstream raw materials:

oxirane

3-phenylpropylmagnesium bromide

5-phenyl-n-valeric acid methyl ester

5-phenylpenta-2,4-dien-1-ol

Downstream raw materials:

(5-bromopentyl)benzene

5-phenylpent-1-ene

5-chloropentylbenzene

6-Methyl-naphthalene-2-sulfonic acid 5-phenyl-pentyl ester