1,3a,6,6a-tetrahydropentalene

Base Information

• Chemical Name: 1,3a,6,6a-tetrahydropentalene
• CAS No.: 41164-14-1
• Molecular Formula: C8H10
• Molecular Weight: 106.167
• Mol file: 41164-14-1.mol

Synonyms:Bicyclo<3,3,0>octa-2,7-dien;cis-2,7-Bicyclo<3,3,0>octadien;cis-Bicyclo<3,3,0>octadien-(2,7);cis-Bicyclo<3.3.0>octa-2,7-dien;cis-bicyclo(3.3.0)octa-2,7-diene;Bicyclo[3.3.0]octa-2,7-diene;

Chemical Property of 1,3a,6,6a-tetrahydropentalene

Chemical Property:

• Vapor Pressure: 7.99mmHg at 25°C
• Boiling Point: 139.5°Cat760mmHg
• Flash Point: 16.2°C
• PSA: 0.00000
• Density: 0.969g/cm³
• LogP: 2.13860

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,3a,6,6a-tetrahydropentalene

There total 3 articles about 1,3a,6,6a-tetrahydropentalene 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: 18.0%

semibullvalene (6909-37-1) → cyclo-octa-1,3,6-triene (114811-56-2) + (1Z,3Z,5Z)-Cycloocta-1,3,5-triene (1871-52-9) + bicyclo<3.3.0>-2,7-octadiene (41164-14-1) + bicyclo<3.3.0>-2,6-octadiene (110269-92-6,17618-97-2)

Guidance literature:

With hydrogenchloride; potassium Sodium; lithium bromide; Yield given;

DOI:10.1039/c39840001654

Reference yield:

tetracyclo<3.3.02,4.03,6>octane (29185-91-9) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + ethylbenzene (100-41-4,27536-89-6) + cis-bicyclo<3.3.0>octa-2,7-diene (41164-14-1) + cis-Bicyclo<3.3.0>octa-2,6-diene (17618-97-2,41527-66-6,104393-61-5,110269-92-6) + toluene (108-88-3,15644-74-3,16713-13-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

at 560 ℃; for 2h; under 2 Torr; Product distribution; the effect of temperature was investigated;

DOI:10.1016/0040-4020(82)85168-5

Reference yield:

tetracyclo<3.3.02,4.03,6>octane (29185-91-9) → cis-bicyclo<3.3.0>octa-2,7-diene (41164-14-1) + 1-ethenyl-1,3-cyclohexadiene (1192-86-5) + cis-Bicyclo<3.3.0>octa-2,6-diene (17618-97-2,41527-66-6,104393-61-5,110269-92-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

at 473 ℃; for 0.000555556h; under 2 Torr; Further byproducts given;

DOI:10.1016/0040-4020(82)85168-5

upstream raw materials:

semibullvalene

tetracyclo<3.3.0^2,4.0^3,6>octane

Downstream raw materials:

(S)-Hydroxy-(1R,3aR,6aR)-1,3a,4,6a-tetrahydro-pentalen-1-yl-acetic acid (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)-cyclohexyl ester

trans-2-phenylcyclohexyl 2-hydroxy-2-(cis-bicyclo<3.3.0>octa-3,7-dien-exo-2-yl)acetate

(-)-specionin

(3S,3aR,6aS)-3-Hydroxy-3,3a,4,6a-tetrahydro-pentalene-1-carbaldehyde