Lodelaben

Base Information

• Chemical Name: Lodelaben
• CAS No.: 111149-90-7
• Molecular Formula: C₂₅H₄₁ClO₃
• Molecular Weight: 425.052
• UNII: 547O0VDK3Z
• DSSTox Substance ID: DTXSID00912013
• Wikidata: Q27261182
• NCI Thesaurus Code: C97353
• ChEMBL ID: CHEMBL2105119
• Mol file: 111149-90-7.mol

Synonyms:2-chloro-4-(1-hydroxyoctadecyl)benzoic acid;declaben;lodelaben;SC 39026;SC-39026

Chemical Property of Lodelaben

Chemical Property:

• Vapor Pressure: 1.76E-12mmHg at 25°C
• Boiling Point: 539.8°Cat760mmHg
• PKA: 3.09±0.25(Predicted)
• Flash Point: 280.2°C
• PSA: 57.53000
• Density: 1.038g/cm³
• LogP: 8.33310
• XLogP3: 10.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 18
• Exact Mass: 424.2744229
• Heavy Atom Count: 29
• Complexity: 402

Purity/Quality:

95% ^*data from raw suppliers

Declaben ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(C1=CC(=C(C=C1)C(=O)O)Cl)O
• Uses: Anti arthritic; emphysema therapy adjunct.

Technology Process of Lodelaben

There total 2 articles about Lodelaben 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:

1-[3-chloro-4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl]-1-octadecanol (93105-75-0) → 2-chloro-4-(1-hydroxyoctadecyl)benzoic acid (111149-90-7,93105-81-8)

Guidance literature:

In hydrogenchloride;

Reference yield:

→ 2-chloro-4-(1-hydroxyoctadecyl)benzoic acid (111149-90-7,93105-81-8)

Guidance literature:

upstream raw materials:

1-[3-chloro-4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl]-1-octadecanol