7-Bromo-1H-indene

Base Information

• Chemical Name: 7-Bromo-1H-indene
• CAS No.: 16657-07-1
• Molecular Formula: C9H7Br
• Molecular Weight: 195.059
• European Community (EC) Number: 663-059-7
• DSSTox Substance ID: DTXSID60537049
• Nikkaji Number: J2.466.235G
• Wikidata: Q82411896
• Mol file: 16657-07-1.mol

Synonyms:7-BROMO-1H-INDENE;16657-07-1;1H-Indene, 7-bromo-;MFCD16652275;7-bromoindene;4-bromo-3H-indene;SCHEMBL2974474;DTXSID60537049;JTRQKQGKIYROIO-UHFFFAOYSA-N;AMY31569;AKOS016000668;CS-W015730;DS-1605;SY022538;EN300-318144;A1-00188

Chemical Property of 7-Bromo-1H-indene

Chemical Property:

• Refractive Index: 1.6078 (589.3 nm 25℃)
• Boiling Point: 257.0±29.0 °C(Predicted)
• Flash Point: >110℃
• PSA: 0.00000
• Density: 1.453 g/mL at 25 °C
• LogP: 3.01840
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 193.97311
• Heavy Atom Count: 10
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

7-Bromo-1H-indene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CC2=C1C(=CC=C2)Br

Technology Process of 7-Bromo-1H-indene

There total 13 articles about 7-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: 92.0%

(±)-4-bromo-2,3-dihydro-1H-inden-1-ol (16657-10-6) → 4-bromo-3H-indene (16657-07-1)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 1h; Heating;

DOI:10.1021/jo00196a024

Reference yield: 69.0%

(±)-4-bromo-2,3-dihydro-1H-inden-1-ol (16657-10-6) → 4-bromo-3H-indene (16657-07-1) + 4-bromo-indene (45738-35-0)

Guidance literature:

With sulfuric acid; In water; Reflux;

Reference yield:

4-bromo-2,3-dihydroinden-1-one (15115-60-3) → 4-bromo-3H-indene (16657-07-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / NaBH₄ / ethanol / 2 h / 25 °C

2: 92 percent / p-toluenesulfonic acid*H₂O / benzene / 1 h / Heating

With sodium tetrahydroborate; toluene-4-sulfonic acid; In ethanol; benzene;

DOI:10.1021/jo00196a024

upstream raw materials:

(±)-4-bromo-2,3-dihydro-1H-inden-1-ol

3-(2-bromophenyl)propanoyl chloride

diethyl 2-(2-bromobenzyl)propan-1,3-dioate

4-bromo-2,3-dihydroinden-1-one

Downstream raw materials:

7-methyl-1H-indene

2,3-dihydro-4-methyl-1H-indene

7-isopropylindene

4-bromo-1,3-dihydro-2H-inden-2-one