1,2,3,6,7,8-Hexahydro-as-indacene

Base Information

Chemical Name:1,2,3,6,7,8-Hexahydro-as-indacene
CAS No.:1076-17-1
Molecular Formula:C₁₂H₁₄
Molecular Weight:158.243
Hs Code.:
DSSTox Substance ID:DTXSID30148106
Nikkaji Number:J591.535J
Wikidata:Q83013559
Mol file:1076-17-1.mol

Synonyms:1,2,3,6,7,8-Hexahydro-as-indacene;1076-17-1;As-Indacene,1,2,3,6,7,8-hexahydro-;as-Hydrindacene;CGIPSWGAIQVCNY-UHFFFAOYSA-;DTXSID30148106;1,2,3,6,7,8-Hexahydro-cis-indacene;as-Indacene, 1,2,3,6,7,8-hexahydro-

Suppliers and Price of 1,2,3,6,7,8-Hexahydro-as-indacene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of 1,2,3,6,7,8-Hexahydro-as-indacene

Chemical Property:

Vapor Pressure:0.0292mmHg at 25°C
Boiling Point:253.4°C at 760 mmHg
Flash Point:102.2°C
Density:1.071g/cm³
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:0
Exact Mass:158.109550447
Heavy Atom Count:12
Complexity:153

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2=C(C1)C3=C(CCC3)C=C2
General Description 1,2,3,6,7,8-Hexahydro-as-indacene, also known as as-hydrindacene, 4,5-cyclopentanoindan, or benzo[1,2:3,4]dicyclopentene, is a polycyclic hydrocarbon formed via the uncatalyzed, highly exothermic intramolecular cyclotrimerization of 1,6,11-dodecatriyne under flash vapor pyrolysis conditions (500–600 °C, 0.01 torr). The reaction proceeds through a two-step cycloaromatization mechanism involving an initial 1,4-diradical intermediate, yielding the hexahydro-as-indacene core alongside dehydro derivatives.

Technology Process of 1,2,3,6,7,8-Hexahydro-as-indacene

There total 19 articles about 1,2,3,6,7,8-Hexahydro-as-indacene 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:

: 65012-14-8
1,2,7,8-tetrahydro-asymm-indacen-3(6H)-one

: 1076-17-1
hexahydroindacene

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol;
DOI:10.1021/ja01490a038

Reference yield:

: 75489-88-2
3-(4-Indanyl)-propansaeure

: 1076-17-1
hexahydroindacene

Guidance literature:: Multi-step reaction with 2 steps

1: polyphosphoric acid

2: H₂ / Pd-C / ethanol

With PPA; hydrogen; palladium on activated charcoal; In ethanol;
DOI:10.1021/ja01490a038