1,2,4-Metheno-1H-cyclobuta[cd]pentalene-3,5-dione, hexahydro-

Base Information

• Chemical Name: 1,2,4-Metheno-1H-cyclobuta[cd]pentalene-3,5-dione, hexahydro-
• CAS No.: 14725-77-0
• Molecular Formula: C₁₀H₈O₂
• Molecular Weight: 160.172
• NSC Number: 124086
• DSSTox Substance ID: DTXSID70298538
• Nikkaji Number: J181.260B
• Mol file: 14725-77-0.mol

Synonyms:1,2,4-Metheno-1H-cyclobuta[cd]pentalene-3,5-dione, hexahydro-;14725-77-0;pentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-dione;NSC124086;DTXSID70298538;MLZTZTWAMUYKQH-UHFFFAOYSA-N;RCL T182605;AKOS024329586;NSC-124086

Chemical Property of 1,2,4-Metheno-1H-cyclobuta[cd]pentalene-3,5-dione, hexahydro-

Chemical Property:

• Vapor Pressure: 0.000113mmHg at 25°C
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 160.052429494
• Heavy Atom Count: 12
• Complexity: 336

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C12C3C4C1C(=O)C5C2C3C(=O)C45

Technology Process of 1,2,4-Metheno-1H-cyclobuta[cd]pentalene-3,5-dione, hexahydro-

There total 1 articles about 1,2,4-Metheno-1H-cyclobuta[cd]pentalene-3,5-dione, hexahydro- 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: 49.0%

pentacyclo<5.3.0.02,6.03,10.04,8>decane-5,9-dione monoethylene ketal (4514-82-3,62928-73-8) → pentacyclo<5.3.0.02,5.03,9.04,8>dodecane-6,10-dione (14725-77-0)

Guidance literature:

With sulfuric acid; In tetrahydrofuran; for 3h; Heating;

DOI:10.1021/jo00195a046

Reference yield:

pentacyclo<5.3.0.02,5.03,9.04,8>dodecane-6,10-dione (14725-77-0) → Hypostrophen (34324-40-8)

Guidance literature:

Multistep reaction;

DOI:10.1021/jo00401a001

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + pentacyclo<5.3.0.02,5.03,9.04,8>dodecane-6,10-dione (14725-77-0) → Ansaradien (68109-02-4)

Guidance literature:

Multistep reaction; (i), (ii) TsNHNH₂, (iii) nBuLi;

upstream raw materials:

pentacyclo<5.3.0.0^2,6.0^3,10.0^4,8>decane-5,9-dione monoethylene ketal

Downstream raw materials:

Ansaradien

Hypostrophen