4-(11-Hydroxyundecyloxy)benzoic acid

Base Information

• Chemical Name: 4-(11-Hydroxyundecyloxy)benzoic acid
• CAS No.: 59100-59-3
• Molecular Formula: C18H28O4
• Molecular Weight: 308.418
• ChEMBL ID: CHEMBL3275718
• DSSTox Substance ID: DTXSID50485742
• Wikidata: Q82325196
• Mol file: 59100-59-3.mol

Synonyms:4-(11-hydroxyundecyloxy)benzoic acid;59100-59-3;Benzoic acid, 4-[(11-hydroxyundecyl)oxy]-;4-(11-hydroxyundecoxy)benzoic acid;SCHEMBL4652780;CHEMBL3275718;DTXSID50485742;PDIBXKLWEBZYBJ-UHFFFAOYSA-N;p-(11-hydroxyundecyloxy)benzoic acid;4-(11-hydroxyundecanyloxy)benzoic acid;4-(11-hydroxyundecanyloxy)-benzoic acid

Chemical Property of 4-(11-Hydroxyundecyloxy)benzoic acid

Chemical Property:

• XLogP3: 5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 308.19875937
• Heavy Atom Count: 22
• Complexity: 272

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)OCCCCCCCCCCCO

Technology Process of 4-(11-Hydroxyundecyloxy)benzoic acid

There total 8 articles about 4-(11-Hydroxyundecyloxy)benzoic acid 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: 90.0%

1-Bromo-11-hydroxyundecane (1611-56-9) + 4-hydroxy-benzoic acid (99-96-7) → 4-(11'-hydroxyundecyloxy)benzoic acid (59100-59-3)

Guidance literature:

With potassium hydroxide; potassium iodide; In ethanol; water;

Reference yield: 87.0%

4-(11-Hydroxy-undecyloxy)-benzoic acid ethyl ester (59099-99-9) → 4-(11'-hydroxyundecyloxy)benzoic acid (59100-59-3)

Guidance literature:

With water; potassium hydroxide; In ethanol;

DOI:10.5935/0103-5053.20140107

Reference yield:

1-Bromo-11-hydroxyundecane (1611-56-9) → 4-(11'-hydroxyundecyloxy)benzoic acid (59100-59-3)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / dimethylformamide / 8 h / Heating

2: cyclohexene; Pd(OH)/C / ethanol / 8 h / Heating

With palladium hydroxide - carbon; potassium carbonate; cyclohexene; In ethanol; N,N-dimethyl-formamide;

DOI:10.1021/ja048437k

upstream raw materials:

4-(11-Hydroxy-undecyloxy)-benzoic acid methyl ester

1-Bromo-11-hydroxyundecane

4-hydroxy-benzoic acid

benzyl 4-(11'-hydroxyundecyloxy)benzoate

Downstream raw materials:

4-(11-Hydroxy-undecyloxy)-benzoic acid butyl ester

4-<11-(but-3-enoyloxy)undecyloxy>benzoic acid

4-(11'-methacryloyloxyundecyloxy)benzoic acid

4-[(4-propenoyloxy)undecyloxy]benzoic acid