1,4-Dihydropentalene

Base Information

• Chemical Name: 1,4-Dihydropentalene
• CAS No.: 61771-84-4
• Molecular Formula: C8H8
• Molecular Weight: 104.152
• DSSTox Substance ID: DTXSID40210762
• Nikkaji Number: J1.383.743K
• Wikidata: Q83085532
• Mol file: 61771-84-4.mol

Synonyms:1,4-Dihydropentalene;61771-84-4;DTXSID40210762

Chemical Property of 1,4-Dihydropentalene

Chemical Property:

• Vapor Pressure: 0.23mmHg at 25°C
• Boiling Point: 214.2°C at 760 mmHg
• Flash Point: 52.1°C
• PSA: 0.00000
• Density: 1.01g/cm³
• LogP: 2.20280
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 104.062600255
• Heavy Atom Count: 8
• Complexity: 170

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C=CC2=C1C=CC2

Technology Process of 1,4-Dihydropentalene

There total 9 articles about 1,4-Dihydropentalene 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: 26.0%

1,3,5,7-cyclooctatetraene (629-20-9) → dihydropentalene (30294-54-3) + 1,4-dihydropentalene (61771-84-4) + 1,5-dihydropentalene (33284-11-6) + 1,6-Dihydropentalen (89654-25-1)

Guidance literature:

at 590 ℃; under 0.08 Torr;

Reference yield: 16.0%

tetracyclo<3.3.0.02,4.03,6>oct-7-ene (35434-64-1) → dihydropentalene (30294-54-3) + 1,4-dihydropentalene (61771-84-4) + 1,5-dihydropentalene (33284-11-6) + 1,6-Dihydropentalen (89654-25-1)

Guidance literature:

at 370 ℃; for 0.000555556h; under 2 Torr; Product distribution; the effect of temperature was investigated;

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

Reference yield:

tetracyclo<3.3.0.02,4.03,6>oct-7-ene (35434-64-1) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 1,4-dihydropentalene (61771-84-4) + 1,5-dihydropentalene (33284-11-6) + 1,6-Dihydropentalen (89654-25-1)

Guidance literature:

at 590 ℃; for 0.000555556h; under 2 Torr; Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

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

upstream raw materials:

tetracyclo<3.3.0.0^2,4.0^3,6>oct-7-ene

1,3,5,7-cyclooctatetraene

cubane

dihydropentalene