3a,6a-Dihydropentalene-1,4-dione

Base Information

• Chemical Name: 3a,6a-Dihydropentalene-1,4-dione
• CAS No.: 4945-71-5
• Molecular Formula: C8H6O2
• Molecular Weight: 134.134
• DSSTox Substance ID: DTXSID40379747
• Mol file: 4945-71-5.mol

Synonyms:3a,6a-dihydropentalene-1,4-dione;4945-71-5;1,3a,4,6a-tetrahydropentalene-1,4-dione;DTXSID40379747;pentalene-1,4(3aH,6aH)-dione;3a,6a-dihydro-1,4-pentalenedione;AKOS024405903;FT-0716370

Chemical Property of 3a,6a-Dihydropentalene-1,4-dione

Chemical Property:

• PSA: 34.14000
• LogP: 0.49660
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 134.036779430
• Heavy Atom Count: 10
• Complexity: 232

Purity/Quality:

95% ^*data from raw suppliers

1,3ALPHA,4,6ALPHA-TETRAHYDROPENTALENE-1,4-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=O)C2C1C(=O)C=C2

Technology Process of 3a,6a-Dihydropentalene-1,4-dione

There total 1 articles about 3a,6a-Dihydropentalene-1,4-dione 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:

carbon monoxide (201230-82-2) + acetylene (74-86-2,25067-58-7) → bicyclo<3.3.0>octa-3,7-diene-2,6-dione (4945-71-5) + endo-tricyclo<5.2.1.02,6>deca-4,8-dien-3,10-dione (826-65-3,14224-63-6,30273-54-2,124948-46-5) + exo,exo-tetracyclo<5.5.2.02,6.08,12>tetradeca-4,10,13-triene-3,9-dione + p-benzoquinone (106-51-4)

Guidance literature:

With dicobalt octacarbonyl; In 1,2-dimethoxyethane; for 120h; under 760 Torr; Further byproducts given;

DOI:10.1016/0022-328X(84)80487-8

Reference yield: 45.0%

bicyclo<3.3.0>octa-3,7-diene-2,6-dione (4945-71-5) → (1R*,4S*,6R*,9S*,10S*,11R*)-2,3,7,8-Tetraazatetracyclo<7.2.1.04,11.06,10>dodeca-2,7-diene (143775-45-5)

Guidance literature:

With hydrazine hydrate; In methanol; at 80 ℃; for 240h;

Reference yield:

bicyclo<3.3.0>octa-3,7-diene-2,6-dione (4945-71-5) → (3aR,6aR,6bS,6cS)-1,3,3a,4,6,6a,6b,6c-Octahydro-1,2,4,5-tetraaza-dicyclopenta[cd,gh]pentalene

Guidance literature:

With hydrazine hydrate; In ethanol; for 12h; Heating;

upstream raw materials:

carbon monoxide

acetylene

Downstream raw materials:

(r-1H,c-5H)-c-4,c-8-Diphenylbicyclo<3.3.0>octan-2,6-dion

(r-1H,c-5H)-2,c-4,6,c-8-Tetraphenylbicyclo<3.3.0>octa-2,6-dien

(r-1H,c-5H)-c-2,c-4,c-6,c-8-Tetraphenylbicyclo<3.3.0>octan-2,6-diol

(1R^*,4S^*,6R^*,9S^*,10S^*,11R^*)-2,3,7,8-Tetraazatetracyclo<7.2.1.0^4,11.0^6,10>dodeca-2,7-diene

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 4945-71-5 1,3A,4,6A-TETRAHYDROPENTALENE-1,4-DIONE

Send

Send

Metric Ton KG G Pound L ML

Send

Send