3-(4-Hydroxyphenyl)propyl tetracosanoate

Base Information

• Chemical Name: 3-(4-Hydroxyphenyl)propyl tetracosanoate
• CAS No.: 141361-42-4
• Molecular Formula: C33H58O3
• Molecular Weight: 502.822
• DSSTox Substance ID: DTXSID00577686
• Nikkaji Number: J1.035.078F
• Wikidata: Q82467763
• Mol file: 141361-42-4.mol

Synonyms:141361-42-4;3-(4-HYDROXYPHENYL)PROPYL TETRACOSANOATE;DTXSID00577686

Chemical Property of 3-(4-Hydroxyphenyl)propyl tetracosanoate

Chemical Property:

• XLogP3: 13.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 27
• Exact Mass: 502.43859571
• Heavy Atom Count: 36
• Complexity: 456

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC1=CC=C(C=C1)O

Technology Process of 3-(4-Hydroxyphenyl)propyl tetracosanoate

There total 5 articles about 3-(4-Hydroxyphenyl)propyl tetracosanoate 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: 95.0%

3-(4-Benzyloxyphenyl)propyl tetracosanoate (141361-43-5) → 3-(4'-hydroxyphenyl)propyl tetracosanoate (141361-42-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; at 25 ℃; for 3.5h; under 5320 Torr;

DOI:10.1016/0031-9422(92)80066-N

Reference yield:

3-[4-(benzyloxy)phenyl]propan-1-ol (61440-45-7) → 3-(4'-hydroxyphenyl)propyl tetracosanoate (141361-42-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / diethyl ether / 24 h / Ambient temperature

2: 95 percent / H₂ / 10percent Pd/C / ethyl acetate / 3.5 h / 25 °C / 5320 Torr

With hydrogen; palladium on activated charcoal; In diethyl ether; ethyl acetate;

DOI:10.1016/0031-9422(92)80066-N

Reference yield:

n-tetracosanoic acid (557-59-5) → 3-(4'-hydroxyphenyl)propyl tetracosanoate (141361-42-4)

Guidance literature:

Multi-step reaction with 3 steps

1: SOCl₂ / 2.5 h / 80 °C

2: 92 percent / diethyl ether / 24 h / Ambient temperature

3: 95 percent / H₂ / 10percent Pd/C / ethyl acetate / 3.5 h / 25 °C / 5320 Torr

With thionyl chloride; hydrogen; palladium on activated charcoal; In diethyl ether; ethyl acetate;

DOI:10.1016/0031-9422(92)80066-N

upstream raw materials:

3-(4-Benzyloxyphenyl)propyl tetracosanoate

n-tetracosanoic acid

tetracosanoyl chloride

3-[4-(benzyloxy)phenyl]propan-1-ol