Benzoic acid, 3,5-bis(decyloxy)-

Base Information

• Chemical Name: Benzoic acid, 3,5-bis(decyloxy)-
• CAS No.: 125482-07-7
• Molecular Formula: C27H46O4
• Molecular Weight: 434.66
• DSSTox Substance ID: DTXSID90438075
• Nikkaji Number: J3.443.797A
• Wikidata: Q82253701
• ChEMBL ID: CHEMBL323508
• Mol file: 125482-07-7.mol

Synonyms:CHEMBL323508;Benzoic acid, 3,5-bis(decyloxy)-;125482-07-7;3,5-Di(decyloxy)benzoic acid;3,5-bis(decyloxy)benzoic acid;3,5-Bis-decyloxy-benzoic acid;SCHEMBL9171240;DTXSID90438075;YRNZOVUMYBUPTG-UHFFFAOYSA-N;BDBM50046064

Chemical Property of Benzoic acid, 3,5-bis(decyloxy)-

Chemical Property:

• XLogP3: 10.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 21
• Exact Mass: 434.33960994
• Heavy Atom Count: 31
• Complexity: 382

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzoic acid, 3,5-bis(decyloxy)-

There total 6 articles about Benzoic acid, 3,5-bis(decyloxy)- 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: 100.0%

methyl 3,5-bis(decyloxy)benzoate (125482-06-6) → (3,5)-bis(decyloxy)benzoic acid (125482-07-7)

Guidance literature:

With potassium hydroxide; In ethanol; at 100 ℃; for 2h;

DOI:10.1021/acs.biomac.8b01405

Reference yield: 91.0%

methyl-3,5-didecyloxybenzoate → (3,5)-bis(decyloxy)benzoic acid (125482-07-7)

Guidance literature:

methyl-3,5-didecyloxybenzoate; With potassium hydroxide; In tetrahydrofuran; ethanol; water; for 1h; Reflux;

With hydrogenchloride; In water; at 20 ℃; pH=1;

DOI:10.1007/s11172-015-1203-0

Reference yield:

1-carbomethoxy-3,5-dihydroxybenzene (2150-44-9) → (3,5)-bis(decyloxy)benzoic acid (125482-07-7)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃

2: NaOH / methanol

With sodium hydroxide; potassium carbonate; In methanol;

DOI:10.1021/jm00072a025

upstream raw materials:

methyl 3,5-bis(decyloxy)benzoate

1-bromo dodecane

1-carbomethoxy-3,5-dihydroxybenzene

3,5-Dihydroxybenzoic acid

Downstream raw materials:

3,5-didecyloxybenzoyl chloride

3,5-Bis-decyloxy-benzoyl azide