3-bromo-1H-indene

Base Information

• Chemical Name: 3-bromo-1H-indene
• CAS No.: 103028-42-8
• Molecular Formula: C9H7 Br
• Molecular Weight: 195.059
• DSSTox Substance ID: DTXSID60591106
• Wikidata: Q82484770
• Mol file: 103028-42-8.mol

Synonyms:3-bromo-1H-indene;1H-Indene, 3-bromo-;103028-42-8;1H-INDENE,3-BROMO-;SCHEMBL7960264;DTXSID60591106;AKOS006286379;D78625

Chemical Property of 3-bromo-1H-indene

Chemical Property:

• PSA: 0.00000
• LogP: 2.97850
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 193.97311
• Heavy Atom Count: 10
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

3-BROMO-1H-INDENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=C(C2=CC=CC=C21)Br

Technology Process of 3-bromo-1H-indene

There total 5 articles about 3-bromo-1H-indene 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:

trans-1.2-Dibrom-indan (19598-04-0,19598-15-3,20357-79-3) → 2-bromoindene (10485-09-3) + 3-bromo-1H-indene (103028-42-8)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 90 ℃; for 24h; Overall yield = 74 %;

DOI:10.1016/j.tetlet.2017.04.024

Reference yield:

inden-1-one (83-33-0) → 3-bromo-1H-indene (103028-42-8) + 2,3-dibromo-indene

Guidance literature:

With phosphorus pentabromide; benzene;

Reference yield:

diethyl ether (60-29-7,927820-24-4) + bromocyane (506-68-3) + inden-1-yl magnesium (1+); bromide → 3-bromo-1H-indene (103028-42-8)

Guidance literature:

at 0 ℃;

upstream raw materials:

diethyl ether

bromocyane

inden-1-one

phosphorus pentabromide

Downstream raw materials:

4-bromo-3-phenyl-4,8b-dihydro-3aH-indeno[2,1-d]isoxazole

(3H-inden-1-yl) phenyl sulfide

2-Benzimidoyl-indanon-⁽¹⁾

3-phenyl-4H-indeno[2,1-d]isoxazole

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