3a,7a-Dihydro-1H-indene

Base Information

• Chemical Name: 3a,7a-Dihydro-1H-indene
• CAS No.: 695-89-6
• Molecular Formula: C9H10
• Molecular Weight: 118.178
• DSSTox Substance ID: DTXSID90497940
• Nikkaji Number: J666.200E
• Mol file: 695-89-6.mol

Synonyms:3a,7a-Dihydro-1H-indene;3a,7a-dihydroindene;695-89-6;DTXSID90497940

Chemical Property of 3a,7a-Dihydro-1H-indene

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 118.078250319
• Heavy Atom Count: 9
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C=CC2C1C=CC=C2

Technology Process of 3a,7a-Dihydro-1H-indene

There total 3 articles about 3a,7a-Dihydro-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: 72.0%

(t-3a,t-4a,t-8a,t-9a)-3a,4,4a,5,8,8a,9,9a-Octahydro-r-4,c-9-azo-t-5,t-8-methano-1H-cyclopentanaphthalin (63904-59-6) → 1,2-diazine (289-80-5) + bicyclo<4.3.0>nona-2,4,7-triene (695-89-6) + cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8)

Guidance literature:

at 400 - 500 ℃;

Reference yield:

→ (+/-)-cis-3a,7a-dihydro-indene (695-89-6,3074-50-8,24778-81-2) + cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8)

Guidance literature:

at 360 - 380 ℃;

Reference yield:

C9H10N2 (82126-24-7) → Homosemibullvalen (88226-18-0) + Bicyclo<4.2.1>nona-2,4,7-trien (5240-87-9) + Bicyclo<4.3.0>nona-2,4,7-trien (695-89-6,3074-50-8,24778-81-2)

Guidance literature:

In diethylene glycol dimethyl ether; at 140 ℃; Yield given. Yields of byproduct given;

DOI:10.1246/cl.1983.1361

upstream raw materials:

(t-3a,t-4a,t-8a,t-9a)-3a,4,4a,5,8,8a,9,9a-Octahydro-r-4,c-9-azo-t-5,t-8-methano-1H-cyclopentanaphthalin

C₉H₁₀N₂

Downstream raw materials:

1-indene

allylbenzene

Refernces

• 1、 Ohba, Yoshihiro,Kumagai, Tsutomu,Mukai, Toshio. "THERMAL REACTION OF 2,3-DIAZATETRACYCLO4,11.06,8>UNDECA-2,9-DIENES: THE NITROGEN EXTRUSION AND THE MASKED HOMODIENYL-1,5-HYDROGEN SHIFT". . p. 1361 - 1364. Retrieved 2007/10/02.