4-Chloro-2-(isoxazol-5-yl)phenol

Base Information

• Chemical Name: 4-Chloro-2-(isoxazol-5-yl)phenol
• CAS No.: 86176-56-9
• Molecular Formula: C9H6ClNO2
• Molecular Weight: 195.605
• Hs Code.: 2934999090
• European Community (EC) Number: 622-284-0
• DSSTox Substance ID: DTXSID30425580
• Nikkaji Number: J996.092I
• Wikidata: Q27464153,Q82238474
• ChEMBL ID: CHEMBL4541308
• Mol file: 86176-56-9.mol

Synonyms:86176-56-9;4-chloro-2-(isoxazol-5-yl)phenol;4-Chloro-2-(5-isoxazolyl)phenol;4-chloro-2-isoxazol-5-yl-phenol;4-chloro-2-(1,2-oxazol-5-yl)phenol;CHEMBL4541308;4-chloro-2-isoxazol-5-ylphenol;SCHEMBL2794646;DTXSID30425580;AAJXJLYUWKMQNO-UHFFFAOYSA-N;(6E)-4-chloro-6-(2H-1,2-oxazol-5-ylidene)cyclohexa-2,4-dien-1-one;2-(Isoxazole-5-yl)-4-chlorophenol;BDBM50534972;MFCD00218660;AKOS005175088;4-Chloro-2-(5-isoxazolyl)phenol, 97%;AS-76197;CS-0043574;FT-0683945;Q27464153;ONR

Chemical Property of 4-Chloro-2-(isoxazol-5-yl)phenol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 200-204oC
• Boiling Point: 353.989oC at 760 mmHg
• Flash Point: 167.887oC
• PSA: 46.26000
• Density: 1.386g/cm3
• LogP: 2.70060
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 195.0087061
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-2-(isoxazol-5-yl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)C2=CC=NO2)O

Technology Process of 4-Chloro-2-(isoxazol-5-yl)phenol

There total 10 articles about 4-Chloro-2-(isoxazol-5-yl)phenol 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: 86.0%

(E)-1-(5-Chloro-2-hydroxy-phenyl)-3-diethylamino-propenone → 5-(5-chloro-2-hydroxylphenyl)isoxazole (86176-56-9)

Guidance literature:

With hydroxylamine hydrochloride; acetic acid; Heating;

Reference yield: 70.0%

(2E)-1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)-2-propen-1-one (73220-32-3) → 5-(5-chloro-2-hydroxylphenyl)isoxazole (86176-56-9)

Guidance literature:

With hydroxylamine hydrochloride; In ethanol; for 0.5h; Heating;

DOI:10.1055/s-2005-869965

Reference yield:

6-chloro-4H-chromen-4-one (33533-99-2) → 4-chloro-2-isoxazol-3-ylphenol (86176-51-4) + 5-(5-chloro-2-hydroxylphenyl)isoxazole (86176-56-9)

Guidance literature:

With hydroxylamine hydrochloride; In ethanol;

upstream raw materials:

6-chloro-4H-chromen-4-one

(2E)-1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)-2-propen-1-one

5-chloro-2-hydroxyacetophenone

C₁₁H₁₂ClNO₂

Downstream raw materials:

2-(4-chloro-2-isoxazol-5-yl-phenoxy)-1-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-ethanone

(4-chloro-2-isoxazol-5-yl-phenoxy)-acetic acid methyl ester

5-[2-(3-Bromo-propoxy)-5-chloro-phenyl]-isoxazole