3',5'-Difluoroacetophenone

Base Information

• Chemical Name: 3',5'-Difluoroacetophenone
• CAS No.: 123577-99-1
• Molecular Formula: C8H6F2O
• Molecular Weight: 156.132
• Hs Code.: 29147000
• Mol file: 123577-99-1.mol

Synonyms:3,5-Difluoroacetophenone;

Chemical Property of 3',5'-Difluoroacetophenone

Chemical Property:

• Appearance/Colour: colorless transparent liquid or white solid
• Vapor Pressure: 0.533mmHg at 25°C
• Melting Point: 34-38 °C(lit.)
• Refractive Index: 1.4876
• Boiling Point: 190.7 °C at 760 mmHg
• Flash Point: 70.3 °C
• PSA: 17.07000
• Density: 1.206 g/cm³
• LogP: 2.16740
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

3'',5''-Difluoroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-R36/37/38-36-26
• Safety Statements: 26-36-S36-S26-36/37/38

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: 3′,5′-Difluoroacetophenone (3,5-Difluoroacetophenone) may be used to synthesize:(E)-3-(4-(1,5,9-trithia-13-azacyclohexadecan-13-yl)-phenyl)-1-(3,5-difluorophenyl)prop-2-en-1-one1,3,5-triarylpyrazoline fluorophores containing a 16-membered thiazacrown ligand(±)-fluorinated-1-(3-morpholin-4-yl-phenyl)ethylamine(E)-1-(3,5-difluorophenyl)-3-(2,4-dimethoxyphenyl) prop-2-en-1-one1-(3,5-difluorophenyl)-4,4,4-trifluorobutane-1,3-dione

Technology Process of 3',5'-Difluoroacetophenone

There total 8 articles about 3',5'-Difluoroacetophenone 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: 70.0%

3,5-difluorobromobenzene (461-96-1) + acetic anhydride (108-24-7) → 3′,5′-difluoroacetophenone (123577-99-1)

Guidance literature:

3,5-difluorobromobenzene; With magnesium;

acetic anhydride; With aluminum (III) chloride; copper(l) chloride;

DOI:10.1021/op400150w

Reference yield: 69.6%

rac-1-(3,5-difluorophenyl)ethan-1-ol (872181-59-4,433228-88-7,692732-03-9,575488-42-5) → 3′,5′-difluoroacetophenone (123577-99-1)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 - 30 ℃; for 2h;

Reference yield: 66.0%

3,5-difluorobromobenzene (461-96-1) + acetyl chloride (75-36-5) → 3′,5′-difluoroacetophenone (123577-99-1)

Guidance literature:

3,5-difluorobromobenzene; With sec-butylmagnesium chloride lithium chloride; diisobutylaluminium hydride; In tetrahydrofuran; hexane; Reflux;

With zinc(II) chloride; In tetrahydrofuran; hexane; at 20 ℃; for 3h;

acetyl chloride; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; diethyl ether; hexane; at 20 ℃; for 12h;

DOI:10.1021/jo201668w

upstream raw materials:

3,5-difluorobromobenzene

acetyl chloride

1-(3,5-difluorophenyl)ethylamine

acetic anhydride

Downstream raw materials:

(-)-(S)-1-(3,5-difluorophenyl)ethanol

(R)-1-(3,5-difluorophenyl)ethan-1-ol

1-(3,5-difluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

α-bromoacetophenone

Refernces

• 1、 García, Nuria,Rubio-Presa, Rubén,García-García, Patricia,Fernández-Rodríguez, Manuel A.,Pedrosa, María R.,Arnáiz, Francisco J.,Sanz, Roberto. "A selective, efficient and environmentally friendly method for the oxidative cleavage of glycols". . p. 2335 - 2340. Retrieved 2016/05/19.
• 2、 Shin, Giyoung,Mathew, Sam,Shon, Minsu,Kim, Byung-Gee,Yun, Hyungdon. "One-pot one-step deracemization of amines using ω-transaminases". . p. 8629 - 8631. Retrieved 2013/09/23.