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

Base Information

• Chemical Name: Benzoic acid, 3,5-bis(dodecyloxy)-
• CAS No.: 123126-40-9
• Molecular Formula: C31H54O4
• Molecular Weight: 490.767
• DSSTox Substance ID: DTXSID50478614
• Nikkaji Number: J1.070.918K
• Wikidata: Q82312102
• Mol file: 123126-40-9.mol

Synonyms:Benzoic acid, 3,5-bis(dodecyloxy)-;123126-40-9;3,5-didodecoxybenzoic acid;3,5-bis(dodecyloxy)benzoic acid;3,5-bis-dodecyloxybenzoic acid;SCHEMBL1568649;DTXSID50478614;CNLSKHCVAUZKTB-UHFFFAOYSA-N;CS-0457391

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

Chemical Property:

• XLogP3: 12.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 25
• Exact Mass: 490.40221020
• Heavy Atom Count: 35
• Complexity: 433

Purity/Quality:

99.0% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)O)OCCCCCCCCCCCC

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

There total 7 articles about Benzoic acid, 3,5-bis(dodecyloxy)- 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%

3,5-bis-dodecyloxy-benzoic acid methyl ester (123126-38-5) → 3,5-didodecyloxybenzoic acid (123126-40-9)

Guidance literature:

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

DOI:10.1021/acs.biomac.8b01405

Reference yield: 100.0%

3,5-Bis(dodecyloxy)benzoesaureethylester (148172-12-7) → 3,5-didodecyloxybenzoic acid (123126-40-9)

Guidance literature:

With potassium hydroxide; In ethanol; for 3h; Heating;

Reference yield:

1-carbomethoxy-3,5-dihydroxybenzene (2150-44-9) → 3,5-didodecyloxybenzoic acid (123126-40-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / K₂CO₃ / dimethylformamide / 24 h / 80 °C

2: 97 percent / KOH / methanol; H₂O / 12 h / 60 °C

With potassium hydroxide; potassium carbonate; In methanol; water; N,N-dimethyl-formamide;

DOI:10.1002/chem.200600449

upstream raw materials:

3,5-Bis(dodecyloxy)benzoesaureethylester

3,5-bis-dodecyloxy-benzoic acid methyl ester

1-carbomethoxy-3,5-dihydroxybenzene

1-dodecylbromide

Downstream raw materials:

3,5-bis(dodecyloxy)-N-(4H-1,2,4-triazol-4-yl)benzamide

N-[2-(tert-butyl-dimethyl-silanyloxy)-1,1-bis-(tert-butyl-dimethyl-silanyloxymethyl)-ethyl]-3,5-bis-dodecyloxy-benzamide

C₉₇H₁₃₃N₃O₁₀Si

C₈₂H₁₁₆N₄O₁₁