5'-Fluoro-2'-hydroxyacetophenone

Base Information

• Chemical Name: 5'-Fluoro-2'-hydroxyacetophenone
• CAS No.: 394-32-1
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.141
• Hs Code.: 29147000
• European Community (EC) Number: 206-893-5
• NSC Number: 46624
• UNII: UE6FHC9K7M
• DSSTox Substance ID: DTXSID30192588
• Nikkaji Number: J213.629E
• Wikidata: Q72479908
• Mol file: 394-32-1.mol

Synonyms:394-32-1;5'-Fluoro-2'-hydroxyacetophenone;1-(5-Fluoro-2-hydroxyphenyl)ethanone;1-(5-Fluoro-2-hydroxyphenyl)ethan-1-one;5-Fluoro-2-hydroxyacetophenone;1-(5-fluoro-2-hydroxyphenyl)-1-ethanone;2-Hydroxy-5-fluoroacetophenone;Ethanone, 1-(5-fluoro-2-hydroxyphenyl)-;Acetophenone, 5'-fluoro-2'-hydroxy-;2'-hydroxy-5'-fluoroacetophenone;5'-fluoro-2'-hydroxy acetophenone;5'-Fluoro-2'-hydroxy-acetophenone;2-Acetyl-4-fluorophenol;EINECS 206-893-5;MFCD00011668;UE6FHC9K7M;BRN 2359087;NSC-46624;1-(5-Fluoro-2-hydroxy-phenyl)-ethanone;4-08-00-00325 (Beilstein Handbook Reference);1-(2-hydroxy-5-fluorophenyl)ethanone;NSC46624;1-(5-fluoro-2-hydroxy-phenyl)ethanone;UNII-UE6FHC9K7M;SCHEMBL467241;5-fluoro-2-hydroxy acetophenone;5-fluoro-2-hydroxy-acetophenone;KOFFXZYMDLWRHX-UHFFFAOYSA-;DTXSID30192588;5`-Fluoro-2`-hydroxyacetophenone;CHEBI:194799;BCP32561;CK2583;NSC 46624;STK507083;1-(5-luoro-2-hydroxyphenyl)ethanone;3-FLUORO-6-HYDROXYACETOPHENONE;AKOS001052571;AC-2767;CS-W007851;1-(5-fluoro-2-hydroxyphenyl) ethanone;5 inverted exclamation mark -Fluoro-2 inverted exclamation mark -hydroxyacetophenone;5'-Fluoro-2'-hydroxyacetophenone, 98%;1-(5-Fluoro-2-hydroxyphenyl)ethanone #;BP-13406;SY002859;A6600;AM20040361;F0318;FT-0620393;EN300-17016;6C-009;Q-200542;Z56858268

Chemical Property of 5'-Fluoro-2'-hydroxyacetophenone

Chemical Property:

• Appearance/Colour: light yellow to beige-brown crystals
• Melting Point: 56-58 °C(lit.)
• Boiling Point: 182.2 °C at 760 mmHg
• PKA: 10.17±0.18(Predicted)
• Flash Point: 97.7 °C
• PSA: 37.30000
• Density: 1.247 g/cm³
• LogP: 1.73390
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Soluble 0.68 G/L
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.04300762
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

5''-Fluoro-2''-hydroxyacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-37/39-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=CC(=C1)F)O
• Uses: 5′-Fluoro-2′-hydroxyacetophenone has been used in the preparation of:1-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-5-phenyl-2,4-pentadien-1-one3-hydroxy and 3-methoxyflavones3-hydroxy and 3-methoxy 2-styrylchromones

Technology Process of 5'-Fluoro-2'-hydroxyacetophenone

There total 15 articles about 5'-Fluoro-2'-hydroxyacetophenone 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: 100.0%

4-fluorophenyl acetate (405-51-6) → 1-(5-fluoro-2-hydroxyphenyl)ethan-1-one (394-32-1)

Guidance literature:

With aluminum (III) chloride; at 140 ℃; for 3h;

Reference yield: 98.4%

4-Fluorophenol (371-41-5) + acetyl chloride (75-36-5) → 1-(5-fluoro-2-hydroxyphenyl)ethan-1-one (394-32-1)

Guidance literature:

With aluminum (III) chloride; at 130 ℃; for 2h;

Reference yield: 90.0%

1-(5-fluoro-2-methoxyphenyl)ethanone (445-82-9) → 1-(5-fluoro-2-hydroxyphenyl)ethan-1-one (394-32-1)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at -5 - 25 ℃;

DOI:10.3184/030823410X12708998015900

upstream raw materials:

4-fluorophenyl acetate

1-(5-fluoro-2-methoxyphenyl)ethanone

4-Fluorophenol

acetic acid

Downstream raw materials:

5'-fluoro-3,2'-dihydroxy-trans-chalcone

4-fluoro-2-(2-pyridin-2-ylamino-thiazol-4-yl)-phenol

2-(2-amino-thiazol-4-yl)-4-fluoro-phenol

6-fluoro-2-methyl-4-chromanone

Refernces

• 1、 Lin, Jian,Li, Yitao,Hu, Xiaoyun,Chi, Weilin,Zeng, Shuiming,Xu, Junxing. "Discovery of novel 3-{[(5,5-dimethyl-4,5-dihydroisoxazol-3-yl)sulfonyl]methyl}benzo[d]isoxazole analogs as promising very long chain fatty acids inhibitors". . p. 226 - 240. Retrieved 2020/10/19.
• 2、 Bhatia, Richa Kaur,Coutinho, Evans C.,Garg, Ruchika,Kancherla, Satyavathi,Kaur, Maninder,Madan, Jitender,Pissurlenkar, Raghuvir R. S.,Singh, Lakhwinder,Yadav, Manmohan. "Novel p-functionalized chromen-4-on-3-yl chalcones bearing astonishing boronic acid moiety as MDM2 inhibitor: Synthesis, cytotoxic evaluation and simulation studies". . p. 212 - 228. Retrieved 2020/03/10.