7-Chloro-6-fluoro-4-hydroxy-2-methylchroman-4-acetic acid

Base Information

Chemical Name:7-Chloro-6-fluoro-4-hydroxy-2-methylchroman-4-acetic acid
CAS No.:111477-47-5
Molecular Formula:C₁₂H₁₂ClFO₄
Molecular Weight:274.676
Hs Code.:
UNII:7BB546DQ6H
Nikkaji Number:J489.179A
Wikidata:Q27268010
Pharos Ligand ID:3F3K6THB1LYP
ChEMBL ID:CHEMBL303218
Mol file:111477-47-5.mol

Synonyms:7-chloro-6-fluoro-4-hydroxy-2-methylchroman-4-acetic acid;7-chloro-6-fluoro-4-hydroxy-2-methylchroman-4-acetic acid, sodium salt;7-Cl-6-F-HMCA

Suppliers and Price of 7-Chloro-6-fluoro-4-hydroxy-2-methylchroman-4-acetic 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
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Total 1 raw suppliers

Chemical Property of 7-Chloro-6-fluoro-4-hydroxy-2-methylchroman-4-acetic acid

Chemical Property:

Vapor Pressure:2.93E-06mmHg at 25°C
Boiling Point:374.1°Cat760mmHg
Flash Point:180°C
PSA：66.76000
Density:1.359g/cm³
LogP:2.31240
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:274.0408147
Heavy Atom Count:18
Complexity:340

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC(C2=CC(=C(C=C2O1)Cl)F)(CC(=O)O)O
Isomeric SMILES:C[C@@H]1C[C@](C2=CC(=C(C=C2O1)Cl)F)(CC(=O)O)O

Technology Process of 7-Chloro-6-fluoro-4-hydroxy-2-methylchroman-4-acetic acid

There total 16 articles about 7-Chloro-6-fluoro-4-hydroxy-2-methylchroman-4-acetic 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:

: 111477-46-4
ethyl 7-chloro-6-fluoro-c-4-hydroxy-2(R)-methylchroman-4-acetate

: 111477-47-5
7-chloro-6-fluoro-c-4-hydroxy-2(R)-methylchroman-4-acetic acid

Guidance literature:: With potassium hydroxide; In ethanol; at 23 ℃; for 4h;
DOI:10.1021/jm00090a004

Reference yield:

: 2613-23-2
3-chloro-4-fluorophenol

: 111477-47-5
7-chloro-6-fluoro-c-4-hydroxy-2(R)-methylchroman-4-acetic acid

Guidance literature:: Multi-step reaction with 6 steps

1: 1.) NaOH / H₂O / Heating

2: PCl₅ / 1,2-dichloro-ethane / 0.33 h / 23 °C

3: AlCl₃ / 1,2-dichloro-ethane

4: 1.) LDA / 1.) THF, hexane, -78 deg C, 1.5 h, 2.) THF, hexane, -78 deg C, 1.5 h

5: KOH / ethanol / 4 h / 23 °C

With potassium hydroxide; sodium hydroxide; aluminium trichloride; phosphorus pentachloride; lithium diisopropyl amide; In ethanol; water; 1,2-dichloro-ethane;
DOI:10.1021/jm00090a004

Reference yield:

: 3-(3-Chloro-4-fluoro-phenoxy)-butyryl chloride

: 111477-47-5
7-chloro-6-fluoro-c-4-hydroxy-2(R)-methylchroman-4-acetic acid

Guidance literature:: Multi-step reaction with 4 steps

1: AlCl₃ / 1,2-dichloro-ethane

2: 1.) LDA / 1.) THF, hexane, -78 deg C, 1.5 h, 2.) THF, hexane, -78 deg C, 1.5 h

3: KOH / ethanol / 4 h / 23 °C

With potassium hydroxide; aluminium trichloride; lithium diisopropyl amide; In ethanol; 1,2-dichloro-ethane;
DOI:10.1021/jm00090a004