Pentacosane-1,25-diol

Base Information

• Chemical Name: Pentacosane-1,25-diol
• CAS No.: 92238-33-0
• Molecular Formula: C₂₅H₅₂O₂
• Molecular Weight: 384.687
• Hs Code.: 2905399090
• DSSTox Substance ID: DTXSID10592724
• Nikkaji Number: J803.349H
• Wikidata: Q82486982
• Mol file: 92238-33-0.mol

Synonyms:pentacosane-1,25-diol;1,25-Pentacosanediol;92238-33-0;SCHEMBL933236;DTXSID10592724

Chemical Property of Pentacosane-1,25-diol

Chemical Property:

• PSA: 40.46000
• LogP: 7.94330
• XLogP3: 10.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 24
• Exact Mass: 384.396730897
• Heavy Atom Count: 27
• Complexity: 219

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCCCCCCCCCO)CCCCCCCCCCCCO

Technology Process of Pentacosane-1,25-diol

There total 5 articles about Pentacosane-1,25-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: 78.0%

dimethyl pentacosane-1,25-dioate → pentacosane-1,25-diol (92238-33-0)

Guidance literature:

With dichlorobis[2-(diphenylphosphino)ethylamine]ruthenium; hydrogen; sodium methylate; In tetrahydrofuran; at 100 ℃; for 22h; under 37503.8 Torr; Inert atmosphere; Schlenk technique; Glovebox;

DOI:10.1002/anie.201403991

Reference yield:

1,23-dibromotricosane (34540-53-9) → pentacosane-1,25-diol (92238-33-0)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium tert-butylate / tetrahydrofuran; toluene / 20 °C

2: [{1,2-(tBu₂PCH₂)₂C₆H₄}Pd(OTf)](OTf) / 168 h / 90 °C / 15001.5 Torr / Autoclave

3: dichlorobis[2-(diphenylphosphino)ethylamine]ruthenium; sodium methylate; hydrogen / tetrahydrofuran / 22 h / 100 °C / 37503.8 Torr / Inert atmosphere; Schlenk technique; Glovebox

With [{1,2-(tBu₂PCH₂)₂C₆H₄}Pd(OTf)](OTf); dichlorobis[2-(diphenylphosphino)ethylamine]ruthenium; potassium tert-butylate; hydrogen; sodium methylate; In tetrahydrofuran; toluene;

DOI:10.1002/anie.201403991

Reference yield:

tricosa-1,22-diene (146860-81-3) → pentacosane-1,25-diol (92238-33-0)

Guidance literature:

Multi-step reaction with 2 steps

1: [{1,2-(tBu₂PCH₂)₂C₆H₄}Pd(OTf)](OTf) / 168 h / 90 °C / 15001.5 Torr / Autoclave

2: dichlorobis[2-(diphenylphosphino)ethylamine]ruthenium; sodium methylate; hydrogen / tetrahydrofuran / 22 h / 100 °C / 37503.8 Torr / Inert atmosphere; Schlenk technique; Glovebox

With [{1,2-(tBu₂PCH₂)₂C₆H₄}Pd(OTf)](OTf); dichlorobis[2-(diphenylphosphino)ethylamine]ruthenium; hydrogen; sodium methylate; In tetrahydrofuran;

DOI:10.1002/anie.201403991

upstream raw materials:

1,23-dibromotricosane

tricosa-1,22-diene

1,23-tricosane diol

Refernces