3-Bromo-1-indanone

Base Information

• Chemical Name: 3-Bromo-1-indanone
• CAS No.: 40774-41-2
• Molecular Formula: C9H7 Br O
• Molecular Weight: 211.058
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID10471727
• Nikkaji Number: J1.656.491E
• Mol file: 40774-41-2.mol

Synonyms:3-Bromo-1-indanone;40774-41-2;3-Bromoindan-1-one;3-bromo-2,3-dihydroinden-1-one;3-Bromo-2,3-dihydro-1H-inden-1-one;MFCD09800595;1H-Inden-1-one, 3-bromo-2,3-dihydro-;3-bromo-indan-1-one;3-Bromo indan-1-one;SCHEMBL3696925;DTXSID10471727;BSAIUCUXHVGXNK-UHFFFAOYSA-N;AKOS016007559;CS-W003645;MB07683;AS-20068;SY031995;3-Bromo-2,3-dihydro-1H-inden- 1 -one;A6805;FT-0703562

Chemical Property of 3-Bromo-1-indanone

Chemical Property:

• Vapor Pressure: 0.006mmHg at 25°C
• Refractive Index: 1.635
• Boiling Point: 271.3°Cat760mmHg
• Flash Point: 97.2°C
• PSA: 17.07000
• Density: 1.631g/cm³
• LogP: 2.70900
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 209.96803
• Heavy Atom Count: 11
• Complexity: 178

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-1-indanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C2=CC=CC=C2C1=O)Br

Technology Process of 3-Bromo-1-indanone

There total 4 articles about 3-Bromo-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: 94.0%

inden-1-one (83-33-0) → 1H-inden-1-one (480-90-0) + 3-Bromoindan-1-one (40774-41-2)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; at 20 ℃; for 0.216667h; Flow reactor; Irradiation; Large scale;

DOI:10.1021/jo402409k

Reference yield: 53.0%

inden-1-one (83-33-0) → 3-Bromoindan-1-one (40774-41-2) + 2-bromoindanone (1775-27-5)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; for 0.75h; Heating;

DOI:10.1016/j.ejps.2004.11.006

Reference yield:

2-bromoindanone (1775-27-5) → 3-Bromoindan-1-one (40774-41-2) + inden-1-one (83-33-0)

Guidance literature:

In neat liquid; Photolysis;

DOI:10.1016/j.tet.2018.10.015

upstream raw materials:

2-bromoindanone

inden-1-one

Downstream raw materials:

3-bromo-2-benzylidene-1-indanone

3-phenethylaminoindan-1-one

2,3-Dibrom-2-(α-brom-phenyl)-indanon-(1)

3-benzylamino-1-indanol