4-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-one

Base Information

• Chemical Name: 4-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-one
• CAS No.: 1003048-72-3
• Molecular Formula: C9H6BrFO
• Molecular Weight: 229.048
• Hs Code.: 2914390090
• European Community (EC) Number: 810-183-6
• DSSTox Substance ID: DTXSID30702404
• Wikidata: Q82634306
• Mol file: 1003048-72-3.mol

Synonyms:4-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-one;1003048-72-3;4-bromo-7-fluoro-2,3-dihydroinden-1-one;4-Bromo-7-fluoro-1-indanone;MFCD17677340;4-Bromo-7-fluoro-2,3-dihydro-1-indanone;4-Bromo-7-fluoro-indan-1-one;SCHEMBL12261417;DTXSID30702404;HNXHWYGTXAJDEC-UHFFFAOYSA-N;BCP25575;AM8848;AKOS016008106;CS-W022116;DS-4414;SY102867;FT-0766613;1H-Inden-1-one, 4-bromo-7-fluoro-2,3-dihydro-

Chemical Property of 4-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-one

Chemical Property:

• Boiling Point: 310.7±42.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.691±0.06 g/cm3(Predicted)
• LogP: 2.71710
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 227.95861
• Heavy Atom Count: 12
• Complexity: 207

Purity/Quality:

97% ^*data from raw suppliers

4-?Bromo-?7-?fluoro-?2,?3-?dihydroinden-?1-?one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C2=C(C=CC(=C21)Br)F
• Uses: 4-?Bromo-?7-?fluoro-?2,?3-?dihydroinden-?1-?one is a reactant or reagent used in the preparation of indanyloxydihydrobenzofuranylacetic acids which are suitable for treatment of metabolic diseases.

Technology Process of 4-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-one

There total 2 articles about 4-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-one 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: 64.0%

7-fluoro-2,3-dihydro-1H-inden-1-one (651735-59-0) → 4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-one (1003048-72-3)

Guidance literature:

With aluminum (III) chloride; bromine; at 65 ℃; for 16h;

Reference yield:

→ 4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-one (1003048-72-3)

Guidance literature:

Reference yield: 38.0%

4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-one (1003048-72-3) + potassium thioacetate (10387-40-3) → S-[7-(3-chloro-5-fluoro-phenoxy)-1-oxo-indan-4-yl]ethanethioate

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; at 150 ℃; for 0.5h; Inert atmosphere; Microwave irradiation;

upstream raw materials:

7-fluoro-2,3-dihydro-1H-inden-1-one

Downstream raw materials:

2-((S)-6-((R)-4-(2,6-dimethyl-4-(3-(methylsulfonyl)propoxy)phenyl)-7-fluoro-2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydrobenzofuran-3-yl)acetic acid

methyl 2-((S)-6-((R)-4-(2,6-dimethyl-4-(3-(methylsulfonyl)propoxy)phenyl)-7-fluoro-2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydrobenzofuran-3-yl)acetate

4-(diphenylmethyleneamino)-7-fluoro-2,3-dihydro-1H-inden-2-ol

methyl 2-((S)-6-((R)-4-(2,6-dimethyl-4-((1-methyl-1H-pyrazol-3-yl)methoxy)phenyl)-7-fluoro-2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydrobenzofuran-3-yl)acetate