2-Hydroxy-6-oxo-6-(4'-chlorophenyl)hexa-2,4-dienoic acid

Base Information

Chemical Name:2-Hydroxy-6-oxo-6-(4'-chlorophenyl)hexa-2,4-dienoic acid
CAS No.:91254-62-5
Molecular Formula:C₁₂H₉ClO₄
Molecular Weight:252.654
Hs Code.:
Metabolomics Workbench ID:70124
Mol file:91254-62-5.mol

Synonyms:2-hydroxy-6-oxo-6-(4'-chlorophenyl)hexa-2,4-dienoic acid;HOO(4-CB)HDA

Suppliers and Price of 2-Hydroxy-6-oxo-6-(4'-chlorophenyl)hexa-2,4-dienoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 2-Hydroxy-6-oxo-6-(4'-chlorophenyl)hexa-2,4-dienoic acid

Chemical Property:

Vapor Pressure:2.15E-08mmHg at 25°C
Boiling Point:436.6°Cat760mmHg
Flash Point:217.8°C
PSA：74.60000
Density:1.418g/cm³
LogP:2.44880
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:252.0189365
Heavy Atom Count:17
Complexity:352

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=CC=CC(=O)C(=O)O)O)Cl
Isomeric SMILES:C1=CC(=CC=C1/C(=C/C=C/C(=O)C(=O)O)/O)Cl

Technology Process of 2-Hydroxy-6-oxo-6-(4'-chlorophenyl)hexa-2,4-dienoic acid

There total 3 articles about 2-Hydroxy-6-oxo-6-(4'-chlorophenyl)hexa-2,4-dienoic 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: 91.0%

: ethyl 2-acetoxy-6-oxo-6-(p-chlorophenyl)hexa-2,4-dienoate

: 91254-62-5
2-hydroxy-6-oxo-6-(p-chlorophenyl)hexa-2,4-dienoic acid

Guidance literature:: With sodium hydroxide; In methanol; for 2h;
DOI:10.1039/b410322j

Reference yield:

: 58824-54-7
p-chlorophenylvinylcarbinol

: 91254-62-5
2-hydroxy-6-oxo-6-(p-chlorophenyl)hexa-2,4-dienoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: AgOAc; PPh₃ / Pd(OAc)2 / toluene / 80 °C

2: CrO₃; H₂SO₄

3: aq. NaOH / 2 h / 20 °C

With chromium(VI) oxide; sodium hydroxide; sulfuric acid; silver(I) acetate; triphenylphosphine; palladium diacetate; In toluene; 1: Heck coupling;
DOI:10.1039/b208168g

Reference yield:

: (2Z,4E)-2-Acetoxy-6-(4-chloro-phenyl)-6-hydroxy-hexa-2,4-dienoic acid ethyl ester

: 91254-62-5
2-hydroxy-6-oxo-6-(p-chlorophenyl)hexa-2,4-dienoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: CrO₃; H₂SO₄

2: aq. NaOH / 2 h / 20 °C

With chromium(VI) oxide; sodium hydroxide; sulfuric acid;
DOI:10.1039/b208168g