4-Hydroxyphenyl 4-(decyloxy)benzoate

Base Information

• Chemical Name: 4-Hydroxyphenyl 4-(decyloxy)benzoate
• CAS No.: 124249-85-0
• Molecular Formula: C23H30 O4
• Molecular Weight: 370.489
• DSSTox Substance ID: DTXSID20560737
• Wikidata: Q82444326
• Mol file: 124249-85-0.mol

Synonyms:4-HYDROXYPHENYL 4-(DECYLOXY)BENZOATE;124249-85-0;(4-hydroxyphenyl) 4-decoxybenzoate;SCHEMBL8750666;DTXSID20560737;AKOS015911793;4-Decyloxy-benzoic acid 4-hydroxy-phenyl ester

Chemical Property of 4-Hydroxyphenyl 4-(decyloxy)benzoate

Chemical Property:

• Vapor Pressure: 1.72E-11mmHg at 25°C
• Boiling Point: 521.4°C at 760 mmHg
• Flash Point: 174.4°C
• PSA: 55.76000
• Density: 1.077g/cm³
• LogP: 6.13090
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 370.21440943
• Heavy Atom Count: 27
• Complexity: 382

Purity/Quality:

98% ^*data from raw suppliers

4-HYDROXYPHENYL-4-(DECYLOXY)BENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)O

Technology Process of 4-Hydroxyphenyl 4-(decyloxy)benzoate

There total 6 articles about 4-Hydroxyphenyl 4-(decyloxy)benzoate 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%

carbon monoxide (201230-82-2) + 1-(decyloxy)-4-iodobenzene (93144-80-0) + hydroquinone (123-31-9,8027-02-9) → C40H54O6 (24704-18-5) + 4-hydroxyphenyl 4'-n-decyloxybenzoate (124249-85-0)

Guidance literature:

With sodium hydroxide; palladium diacetate; In N,N-dimethyl-formamide; at 60 ℃; for 4h; under 760 Torr;

Reference yield: 20.0%

4-decyloxybenzoyl chloride (50625-44-0) + hydroquinone (123-31-9,8027-02-9) → 4-hydroxyphenyl 4'-n-decyloxybenzoate (124249-85-0)

Guidance literature:

With pyridine; In benzene; at 20 ℃; for 24h;

DOI:10.1134/S1070427214060202

Reference yield:

4-Decyloxy-benzoic acid 4-benzyloxy-phenyl ester (129561-09-7) → 4-hydroxyphenyl 4'-n-decyloxybenzoate (124249-85-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; dichloromethane; under 15001.2 Torr; Yield given;

DOI:10.1002/hlca.19930760210

upstream raw materials:

4-Decyloxy-benzoic acid 4-benzyloxy-phenyl ester

carbon monoxide

1-(decyloxy)-4-iodobenzene

hydroquinone

Downstream raw materials:

4-{[(4-decyloxyphenyl)carbonyl]oxy}phenyl thiophene-3-carboxylate

4-{[(4-decyloxyphenyl)carbonyl]oxy}phenyl thiophene-2-carboxylate

C₃₈H₅₀O₆Si

C₅₆H₆₄O₁₀