1-(4-Chloro-3-hydroxyphenyl)ethanone

Base Information

• Chemical Name: 1-(4-Chloro-3-hydroxyphenyl)ethanone
• CAS No.: 61124-56-9
• Molecular Formula: C8H7ClO2
• Molecular Weight: 170.595
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID00484083
• Wikidata: Q82322099
• Mol file: 61124-56-9.mol

Synonyms:1-(4-chloro-3-hydroxyphenyl)ethanone;61124-56-9;Ethanone, 1-(4-chloro-3-hydroxyphenyl)-;1-(4-chloro-3-hydroxyphenyl)ethan-1-one;MFCD00034670;Ethanone,1-(4-chloro-3-hydroxyphenyl)-;SCHEMBL8020903;DTXSID00484083;AKOS022178386;1-(4-chloro-3-hydroxy-phenyl)-ethanone;NS-01395;1-(4-chloranyl-3-oxidanyl-phenyl)ethanone;AM20040855;CS-0192340;E89351;EN300-179326;A833060

Chemical Property of 1-(4-Chloro-3-hydroxyphenyl)ethanone

Chemical Property:

• Melting Point: 106–107°C
• Boiling Point: 304.471 °C at 760 mmHg
• Flash Point: 137.939 °C
• PSA: 37.30000
• Density: 1.299 g/cm³
• LogP: 2.24820
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• 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-(4-Chloro-3-hydroxyphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1)Cl)O

Technology Process of 1-(4-Chloro-3-hydroxyphenyl)ethanone

There total 7 articles about 1-(4-Chloro-3-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%

2-(4'-chloro-3'-hydroxyphenyl)-2,4,5-trimethyl-1,3-dioxolane (85740-96-1) → 4'-chloro-3'-hydroxyacetophenone (61124-56-9)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; for 2h; Heating;

DOI:10.1002/jhet.5570200113

Reference yield: 65.0%

3-Hydroxyacetophenone (121-71-1) → 4'-chloro-3'-hydroxyacetophenone (61124-56-9)

Guidance literature:

With potassium hydrogensulfate; potassium chloride; isoquinolinium dichromate; In water; at 20 ℃; Reagent/catalyst; Temperature; regioselective reaction; Catalytic behavior; Sonication; Green chemistry;

DOI:10.14233/ajchem.2018.20963

Reference yield: 40.0%

1-(4-chloro-3-methoxyphenyl)ethan-1-one (73898-63-2) → 4'-chloro-3'-hydroxyacetophenone (61124-56-9)

Guidance literature:

With pyridine hydrochloride; at 170 - 200 ℃; for 2h;

DOI:10.1021/jm00181a008

upstream raw materials:

2-(4'-chloro-3'-hydroxyphenyl)-2,4,5-trimethyl-1,3-dioxolane

3-amino-4-chloroacetophenone

1-(4-chloro-3-methoxyphenyl)ethan-1-one

3-Hydroxyacetophenone

Downstream raw materials:

4-chloro-3-methoxybenzoic acid

5-methoxy-6-chloro-3-β-acetamidoethylbenzothiophene

(Z)-2-[(Z)-1-Carboxy-2-(4-chloro-3-hydroxy-phenyl)-propenyldisulfanyl]-3-(4-chloro-3-hydroxy-phenyl)-but-2-enoic acid

5-p-nitrobenzoyloxy-6-chloro-3-methylbenzothiophene

Refernces

• 1、 -. "Photocatalytic benzene and benzene derivative direct hydroxylation or amination method". Paragraph 0128-0129. . Retrieved 2017/11/29.
• 2、 Campaigne,Smith Jr.,Sandhu,Kim. "Benzo[b]thiophene derivatives. XXVI. 5-Methoxy-6-chloro-3-β-acetamidoethylbenzo[b]thiophene. A blocked analog of melatonin". . p. 55 - 59. Retrieved 2007/10/02.