5-Bromo-1H-inden-1-one

Base Information

• Chemical Name: 5-Bromo-1H-inden-1-one
• CAS No.: 338989-48-3
• Molecular Formula: C9H5BrO
• Molecular Weight: 209.042
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID80463715
• Nikkaji Number: J1.498.809B
• Mol file: 338989-48-3.mol

Synonyms:5-Bromo-1H-inden-1-one;338989-48-3;5-bromoinden-1-one;5-bromo-1-oxoindene;1H-Inden-1-one, 5-bromo-;SCHEMBL1500055;DTXSID80463715;GDISUFGKUMDDGG-UHFFFAOYSA-N;MFCD09842501;BS-50188;CS-0187104;E76210

Chemical Property of 5-Bromo-1H-inden-1-one

Chemical Property:

• PSA: 17.07000
• LogP: 2.65860
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 207.95238
• Heavy Atom Count: 11
• Complexity: 210

Purity/Quality:

99%, ^*data from raw suppliers

5-Bromo-1H-inden-1-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC2=O)C=C1Br

Technology Process of 5-Bromo-1H-inden-1-one

There total 2 articles about 5-Bromo-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: 86.0%

5-Bromo-1-indanone (34598-49-7) → 5-bromo-1H-inden-1-one (338989-48-3)

Guidance literature:

5-Bromo-1-indanone; With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 2.5h; Reflux;

With triethylamine; In tetrachloromethane; at 0 ℃;

DOI:10.1016/j.tetlet.2013.11.081

Reference yield:

(5-bromo-3H-inden-1-yloxy)-trimethyl-silane → 5-bromo-1H-inden-1-one (338989-48-3)

Guidance literature:

With palladium diacetate; In dichloromethane; acetonitrile; at 20 ℃; for 1h;

DOI:10.1081/SCC-100000182

Reference yield: 74.0%

2-hydroxy-1-(2-methoxyphenyl)ethanone (224321-19-1) + 5-bromo-1H-inden-1-one (338989-48-3) → (3S)-3-[(R)-(o-anisoyl)hydroxymethyl]-5-bromo-1-indanone

Guidance literature:

With (S,S)bis(2,2'-dihydroxy[1,1']binaphthalenyl-3-ylmethyl)ether; diethylzinc; In tetrahydrofuran; diethyl ether; hexane; at -20 ℃; for 4h;

DOI:10.1021/ja028928+

upstream raw materials:

5-Bromo-1-indanone

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