Pentadecane-1,2-diol

Base Information

• Chemical Name: Pentadecane-1,2-diol
• CAS No.: 33968-47-7
• Molecular Formula: C15H32 O2
• Molecular Weight: 244.418
• Hs Code.: 2905399090
• European Community (EC) Number: 251-767-5
• DSSTox Substance ID: DTXSID40955545
• Nikkaji Number: J287.837B
• Mol file: 33968-47-7.mol

Synonyms:1,2-pentadecanediol;Pentadecane-1,2-diol;33968-47-7;EINECS 251-767-5;SCHEMBL1847019;DTXSID40955545

Chemical Property of Pentadecane-1,2-diol

Chemical Property:

• Vapor Pressure: 4.93E-06mmHg at 25°C
• Melting Point: 87°C (estimate)
• Refractive Index: 1.4702 (estimate)
• Boiling Point: 342.3°Cat760mmHg
• Flash Point: 147.2°C
• PSA: 40.46000
• Density: 0.9g/cm³
• LogP: 4.04070
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 244.240230259
• Heavy Atom Count: 17
• Complexity: 137

Purity/Quality:

99% ^*data from raw suppliers

PENTADECANE-1,2-DIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC(CO)O

Technology Process of Pentadecane-1,2-diol

There total 4 articles about Pentadecane-1,2-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: 75.0%

1-pentadecene (13360-61-7) → n-pentadecane-1,2-diol (33968-47-7)

Guidance literature:

With tert.-butylhydroperoxide; osmium(VIII) oxide; N-benzyl-trimethylammonium hydroxide; In tert-butyl alcohol; at 0 ℃;

DOI:10.1055/s-1984-30758

Reference yield:

1,2-epoxypentadecane (18633-25-5) → n-pentadecane-1,2-diol (33968-47-7)

Guidance literature:

With cobalt-salen complexes promoted on porous organic frameworks from 1,3,5-tris(3’-tert-butyl-4’-hydroxy-5’-formylphenyl)benzene and cyclohexanediamine; In water; at 40 ℃; for 8h; Reagent/catalyst; Autoclave;

DOI:10.1002/chem.201702810

Reference yield:

1-hexadecylcarboxylic acid (57-10-3) → n-pentadecane-1,2-diol (33968-47-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 50 percent / Pb(OAc)4, Cu(OAc)2, pyridine / benzene / 8 h / Heating

2: 75 percent / t-C₄H₉-OOH, aq. 40percent Triton B, OsO₄ / 2-methyl-propan-2-ol / 0 °C

With pyridine; lead(IV) acetate; tert.-butylhydroperoxide; osmium(VIII) oxide; copper diacetate; N-benzyl-trimethylammonium hydroxide; In tert-butyl alcohol; benzene;

DOI:10.1055/s-1984-30758

upstream raw materials:

1-pentadecene

1-hexadecylcarboxylic acid

1,2-epoxypentadecane

Downstream raw materials:

1,2-epoxypentadecane

Refernces

• 1、 Sugimoto, Hideki,Ashikari, Kenji,Itoh, Shinobu. "Osmium(III) and osmium(V) complexes bearing a macrocyclic ligand: A simple and efficient catalytic system for cis-dihydroxylation of alkenes with hydrogen peroxide". . p. 2154 - 2160. Retrieved 2013/09/23.
• 2、 Akal Baser. "1,y Dihydroxy paraffins". . p. 524 - 526. Retrieved 2007/10/05.