5-Bromo-7-fluoro-1-indanone

Base Information

• Chemical Name: 5-Bromo-7-fluoro-1-indanone
• CAS No.: 1242157-14-7
• Molecular Formula: C9H6BrFO
• Molecular Weight: 229.05
• Hs Code.: 2914700090
• Mol file: 1242157-14-7.mol

Synonyms:5-Bromo-7-fluoro-indan-1-one;5-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-one;5-Bromo-7-fluoro-1-indanone;

Chemical Property of 5-Bromo-7-fluoro-1-indanone

Chemical Property:

• PSA: 17.07000
• LogP: 2.71710
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99%, ^*data from raw suppliers

5-Bromo-7-fluoro-1-indanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 5-Bromo-7-fluoro-1-indanone is a reagent used in the synthesis of RN486, a pharmaceutical used in the treatment of Rhematoid Arthritis, via BTK inhibition.

Technology Process of 5-Bromo-7-fluoro-1-indanone

There total 3 articles about 5-Bromo-7-fluoro-1-indanone 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: 55.0%

1-(4-bromo-2-fluorophenyl)-3-chloro-propan-1-one (395639-63-1) → 5-bromo-7-fluoro-2,3-dihydro-1H-inden-1-one (1242157-14-7)

Guidance literature:

With aluminum (III) chloride; sodium chloride; at 130 - 180 ℃; for 1h; Inert atmosphere;

Reference yield:

2-fluoro-4-bromobenzoic acid (112704-79-7) → 5-bromo-7-fluoro-2,3-dihydro-1H-inden-1-one (1242157-14-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: thionyl chloride / benzene / 12 h / Reflux; Inert atmosphere

1.2: 2 h / 20 °C / Inert atmosphere

2.1: aluminum (III) chloride; sodium chloride / 1 h / 130 - 180 °C / Inert atmosphere

With aluminum (III) chloride; thionyl chloride; sodium chloride; In benzene;

Reference yield:

4-bromo-2-fluorobenzoyl chloride (151982-51-3) → 5-bromo-7-fluoro-2,3-dihydro-1H-inden-1-one (1242157-14-7)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminum (III) chloride / 1,2-dichloro-ethane / 0 - 20 °C

2: aluminum (III) chloride; sodium chloride / 5 h / 130 - 180 °C

With aluminum (III) chloride; sodium chloride; In 1,2-dichloro-ethane;

upstream raw materials:

1-(4-bromo-2-fluorophenyl)-3-chloro-propan-1-one

2-fluoro-4-bromobenzoic acid

4-bromo-2-fluorobenzoyl chloride

Downstream raw materials:

6-bromo-8-fluoro-3,4-dihydroisoquinolin-1(2H)-one

6-cyclopropyl-8-fluoro-2-(2-hydroxymethyl-3-{1-methyl-5-[5-(4-methyl-piperazin-1-yl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-2H-isoquinolin-1-one

2-(3-chloro-2-(hydroxymethyl)phenyl)-6-cyclopropyl-8-fluoroisoquinoline-1(2H)-one

2-chloro-6-(6-cyclopropyl-8-fluoro-1-oxoisoquinolin-2 (1H)-yl)benzaldehyde

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