1H-Benz(f)indene

Base Information

• Chemical Name: 1H-Benz(f)indene
• CAS No.: 268-40-6
• Molecular Formula: C13H10
• Molecular Weight: 166.222
• UNII: 9J9B82A512
• DSSTox Substance ID: DTXSID00181303
• Nikkaji Number: J274.292F
• Wikidata: Q27272620
• Mol file: 268-40-6.mol

Synonyms:1H-Benz(f)indene;1H-Benz[f]indene;268-40-6;1-beta-Naphthindene;Benz[f]indene;UNII-9J9B82A512;9J9B82A512;1H-cyclopenta[b]naphthalene;DTXSID00181303;LJVOKUMRGBIJGP-UHFFFAOYSA-N;Q27272620

Chemical Property of 1H-Benz(f)indene

Chemical Property:

• Vapor Pressure: 0.000987mmHg at 25°C
• Boiling Point: 312.2°C at 760 mmHg
• Flash Point: 147.5°C
• PSA: 0.00000
• Density: 1.139g/cm³
• LogP: 3.40910
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 166.078250319
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CC2=CC3=CC=CC=C3C=C21

Technology Process of 1H-Benz(f)indene

There total 21 articles about 1H-Benz(f)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: 90.0%

endo+exo-4,9-epoxy-3a,4,9,9a-tetrahydro-1H-benzindene (129815-97-0,129893-83-0) → benz [f]indene (268-40-6)

Guidance literature:

With sulfuric acid; for 5h; Heating;

DOI:10.1016/0957-4166(92)80003-F

Reference yield: 85.0%

Benzindan-1-ol (123332-18-3) → benz [f]indene (268-40-6)

Guidance literature:

With sulfuric acid; for 24h; Heating;

DOI:10.1021/jo00288a041

Reference yield: 72.0%

1,4-methano-4,4a,11,11a-tetrahydro-1H-benzo[b]fluoren-11-one (202982-52-3) → benz [f]indene (268-40-6)

Guidance literature:

With hydroxide; hydrazine; In diethylene glycol; at 210 ℃;

DOI:10.1016/S0040-4039(97)10636-0

upstream raw materials:

Benzindan-1-ol

2-(Phenylsulfonyl)benzindene

2-(Methylsulfonyl)-2-(p-tolylsulfonyl)benzindan

endo+exo-4,9-epoxy-3a,4,9,9a-tetrahydro-1H-benzindene

Downstream raw materials:

2-(4-methoxy-phenyl)-5,6-benzindene

N-(benzinden-3-ylmethyloxycarbonyl)phenylalanine

cis-1-aminobenz[f]indan-2-ol

(1R,2S)-1-amino-benz[f]indan-2-ol

Refernces

• 1、 Ahmed, Musahid,Azyazov, Valeriy N.,Bashkirov, Eugene K.,Evseev, Mikhail M.,Howlader, A. Hasan,Kaiser, Ralf I.,Kostko, Oleg,Lu, Wenchao,Mebel, Alexander M.,Oleinikov, Artem D.,Wnuk, Stanislaw F.,Zhao, Long. "Gas phase formation of cyclopentanaphthalene (benzindene) isomers: Via reactions of 5- And 6-indenyl radicals with vinylacetylene". . p. 22493 - 22500. Retrieved 2020/11/09.
• 2、 Hermann, Keith,Pratumyot, Yaowalak,Polen, Shane,Hardin, Alex M.,Dalkilic, Erdin,Dastan, Arif,Badji?, Jovica D.. "Twisted baskets". . p. 3550 - 3555. Retrieved 2015/03/04.