1-(5-Chloro-2-hydroxyphenyl)ethanone

Base Information

• Chemical Name: 1-(5-Chloro-2-hydroxyphenyl)ethanone
• CAS No.: 1450-74-4
• Molecular Formula: C8H7ClO2
• Molecular Weight: 170.595
• Hs Code.: 29147000
• European Community (EC) Number: 215-916-8
• NSC Number: 46622
• UNII: UY5U246MAZ
• DSSTox Substance ID: DTXSID90162863
• Nikkaji Number: J102.344F
• Wikidata: Q69756876
• ChEMBL ID: CHEMBL4556310
• Mol file: 1450-74-4.mol

Synonyms:2'-Hydroxy-5'-chloroacetophenone;3-Chloro-6-hydroxyacetophenone;NSC 46622;1-(5-Chloro-2-hydroxyphenyl)ethanone;2-Acetyl-4-chlorophenol;Acetophenone,5'-chloro-2'-hydroxy- (6CI,7CI,8CI);

Chemical Property of 1-(5-Chloro-2-hydroxyphenyl)ethanone

Chemical Property:

• Appearance/Colour: slightly yellow crystalline powder or chunks
• Melting Point: 54-56 °C(lit.)
• Refractive Index: 1.5590 (estimate)
• Boiling Point: 270.9 °C at 760 mmHg
• PKA: 9.72±0.18(Predicted)
• Flash Point: 117.6 °C
• PSA: 37.30000
• Density: 1.298 g/cm³
• LogP: 2.24820
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 170.0134572
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

1-(5-Chloro-2-hydroxyphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=CC(=C1)Cl)O
• Uses: 5′-Chloro-2′-hydroxyacetophenone (5-chloro-2- hydroxyacetophenone) may be used in the synthesis of:6-chloro-2-methyl-4H-chrome-4-one1-(2-hydroxyphenyl)-5-phenyl-2,4-pentadien-1-ones1-(2-hydroxyphenyl)-5-phenyl-2,4-pentadien-1-ones2-styrenyl allyl ether

Technology Process of 1-(5-Chloro-2-hydroxyphenyl)ethanone

There total 24 articles about 1-(5-Chloro-2-hydroxyphenyl)ethanone 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: 94.0%

1-(2-(allyloxy)-5-chlorophenyl)ethan-1-one (186956-36-5) → 5-chloro-2-hydroxyacetophenone (1450-74-4)

Guidance literature:

With iodine; at 20 ℃;

DOI:10.1080/00397911.2013.837489

Reference yield: 91.0%

4-chlorophenyl acetate (876-27-7) → 5-chloro-2-hydroxyacetophenone (1450-74-4)

Guidance literature:

With hydrogen fluoride supported on silica gel; In neat (no solvent); at 55 ℃; for 4h; Green chemistry;

DOI:10.2174/1570178615666180126153924

Reference yield: 90.0%

3-methyl-1,2-benzisoxazole N-oxide (75632-99-4) → 5-chloro-2-hydroxyacetophenone (1450-74-4)

Guidance literature:

With hydrogenchloride; In ethanol; water; for 12h; Heating;

upstream raw materials:

4-chlorophenyl acetate

4'-chlorophenyl 3-methylbut-2-enoate

acetic acid

4-chloro-phenol

Downstream raw materials:

1-(5-chloro-2-hydroxy-phenyl)-3t-[2]pyridyl-propenone

1-(5-chloro-2-hydroxy-phenyl)-3t-(6-methyl-[2]pyridyl)-propenone

6-chloro-2-(6-methyl-[2]pyridyl)-chroman-4-one

1-(5-chloro-2-hydroxy-phenyl)-3-quinolin-2-yl-propenone

Refernces

• 1、 -. "Chromone dioxadiazole compound as well as preparation method and application thereof". Paragraph 0021-0023. . Retrieved 2021/10/30.
• 2、 Bhimapaka, China Raju,Karri, Shailaja,Kuncha, Madhusudana,Kurma, Siva Hariprasad,Sistla, Ramakrishna. "Synthesis and anti-inflammatory activity of 2-oxo-2H-chromenyl and 2H-chromenyl-5-oxo-2,5-dihydrofuran-3-carboxylates". . . Retrieved 2020/06/22.