1-Phenylpentane-1,5-diol

Base Information

• Chemical Name: 1-Phenylpentane-1,5-diol
• CAS No.: 1011-61-6
• Molecular Formula: C11H16 O2
• Molecular Weight: 180.247
• NSC Number: 98556
• Nikkaji Number: J653.062A
• Mol file: 1011-61-6.mol

Synonyms:1-phenylpentane-1,5-diol;1011-61-6;NSC98556;NCIOpen2_001850;SCHEMBL1308572;LURHGCQQNUAFLT-UHFFFAOYSA-N;NSC-98556;AKOS017517977

Chemical Property of 1-Phenylpentane-1,5-diol

Chemical Property:

• Vapor Pressure: 3.45E-05mmHg at 25°C
• Boiling Point: 339.9°Cat760mmHg
• Flash Point: 164.8°C
• Density: 1.075g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 119

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CCCCO)O

Technology Process of 1-Phenylpentane-1,5-diol

There total 33 articles about 1-Phenylpentane-1,5-diol 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: 97.0%

5-oxo-5-phenylvaleric acid (1501-05-9) → 1-phenylpentane-1,5-diol (1011-61-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 25 ℃; Inert atmosphere;

DOI:10.1021/jacs.8b07776

Reference yield: 96.0%

Methyl 4-benzoylbutanoate (1501-04-8) → 1-phenylpentane-1,5-diol (1011-61-6)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃;

DOI:10.1016/j.tet.2010.04.062

Reference yield: 49.0%

Methyl 4-benzoylbutanoate (1501-04-8) → 1-phenylpentane-1,5-diol (1011-61-6) + methyl 5-hydroxy-5-phenylpentanoate (37464-83-8)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃; for 0.166667h;

DOI:10.1016/j.tet.2010.04.062

upstream raw materials:

2-(prop-2-en-1-yloxy)oxane

5-hydroxy-1-phenylpentan-1-one

tetrahydrofuran

benzaldehyde

Downstream raw materials:

2-phenyltetrahydropyran

5-hydroxy-1-phenylpentan-1-one

Acetic acid 5-hydroxy-5-phenyl-pentyl ester

(E)-5-phenyl-4-penten-1-ol