3-(4-Dodecylbenzoyl)acrylic acid

Base Information

• Chemical Name: 3-(4-Dodecylbenzoyl)acrylic acid
• CAS No.: 52497-79-7
• Molecular Formula: C22H32O3
• Molecular Weight: 344.494
• NSC Number: 30659
• DSSTox Substance ID: DTXSID90417921
• Nikkaji Number: J373.693H,J492.356A
• Wikidata: Q82228160
• ChEMBL ID: CHEMBL1806598
• Mol file: 52497-79-7.mol

Synonyms:NSC-30659;52497-79-7;NSC30659;SCHEMBL6905318;CHEMBL1806598;DTXSID90417921;3-(4-Dodecylbenzoyl)acrylic acid;(E)-4-(4-Dodecylphenyl)-4-oxo-2-butenoic acid

Chemical Property of 3-(4-Dodecylbenzoyl)acrylic acid

Chemical Property:

• Vapor Pressure: 2.11E-10mmHg at 25°C
• Boiling Point: 489.7°C at 760 mmHg
• Flash Point: 264°C
• Density: 1.012g/cm³
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 344.23514488
• Heavy Atom Count: 25
• Complexity: 392

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C=CC(=O)O
• Isomeric SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)/C=C/C(=O)O

Technology Process of 3-(4-Dodecylbenzoyl)acrylic acid

There total 2 articles about 3-(4-Dodecylbenzoyl)acrylic 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: 76.0%

maleic anhydride (108-31-6) + 1-dodecylbenzene (123-01-3) → (E)-4-(4-n-dodecylphenyl)-4-oxo-2-butenoic acid (52497-79-7)

Guidance literature:

maleic anhydride; 1-dodecylbenzene; With aluminum (III) chloride; In dichloromethane; at 20 ℃;

With hydrogenchloride; In dichloromethane; water; Cooling with ice;

DOI:10.1016/j.ejmech.2011.04.043

Reference yield:

→ (E)-4-(4-n-dodecylphenyl)-4-oxo-2-butenoic acid (52497-79-7)

Guidance literature:

Reference yield: 71.0%

(E)-4-(4-n-dodecylphenyl)-4-oxo-2-butenoic acid (52497-79-7) + mercaptoacetic acid (68-11-1) → 2-carboxymethylsulfanyl-4-(4-dodecyl-phenyl)-4-oxo-butyric acid

Guidance literature:

In methanol; at 20 ℃;

DOI:10.1021/jm0502889

upstream raw materials:

maleic anhydride

1-dodecylbenzene

Downstream raw materials:

4-dodecylbenzoic acid