1,5-Decalindione

Base Information

• Chemical Name: 1,5-Decalindione
• CAS No.: 13913-82-1
• Molecular Formula: C10H14O2
• Molecular Weight: 166.22
• Hs Code.: 2914299000
• NSC Number: 142689
• DSSTox Substance ID: DTXSID40301381
• Mol file: 13913-82-1.mol

Synonyms:1,5-decalindione;13913-82-1;OCTAHYDRONAPHTHALENE-1,5-DIONE;2,3,4,4a,6,7,8,8a-octahydronaphthalene-1,5-dione;decahydronaphthalene-1,5-dione;1,5-Naphthalenedione, octahydro-;1,5-Naphthalenedione,octahydro-;NSC142689;SCHEMBL4374227;DTXSID40301381;AKOS006273863;NSC-142689;CS-0261330;FT-0744035;EN300-7816129

Chemical Property of 1,5-Decalindione

Chemical Property:

• Vapor Pressure: 0.00117mmHg at 25°C
• Melting Point: 68-72 °C
• Refractive Index: 1.498
• Boiling Point: 299.7 °C at 760 mmHg
• Flash Point: 111.9 °C
• PSA: 34.14000
• Density: 1.097 g/cm³
• LogP: 1.72480
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 196

Purity/Quality:

98%min ^*data from raw suppliers

Octahydronaphthalene-1,5-dione 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2C(CCCC2=O)C(=O)C1

Technology Process of 1,5-Decalindione

There total 7 articles about 1,5-Decalindione 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:

→ (4aR,8aS)-octahydronaphthalene-1,5-dione (42245-85-2) + (4aSR,8aSR)-octahydronaphthalene-1,5-dione (13913-82-1,42245-84-1,42245-85-2,89448-15-7,89448-20-4)

Guidance literature:

With chromium(VI) oxide; at 0 ℃;

DOI:10.1039/jr9420000691 DOI:10.1021/ja01155a530

Reference yield:

1,5-dihydroxynaphthalene (83-56-7) → (4aSR,8aSR)-octahydronaphthalene-1,5-dione (13913-82-1,42245-84-1,42245-85-2,89448-15-7,89448-20-4)

Guidance literature:

Multistep reaction; (i) H₂, Rh-Al₂O₃, (ii) aq. Na₂Cr₂O₇, H₂SO₄, AcOH;

DOI:10.1002/jps.2600680915

Reference yield:

decahydronaphthalene-1,5-diol (66818-21-1) → octahydronaphthalene-1,5-dione (13913-82-1)

Guidance literature:

With sodium dichromate; sulfuric acid; acetic acid; In benzene;

DOI:10.1021/ja952852i

upstream raw materials:

decahydronaphthalene-1,5-diol

(4aS)-(4ar,8ac)-decahydro-naphthalene-1c,5c-diol

(4aSR,8aSR)-octahydronaphthalene-1,5-dione

1,5-dihydroxynaphthalene

Downstream raw materials:

(4aS)-cis-octahydro-naphthalene-1,5-dione

1,5-diethynyl-decahydro-naphthalene-1,5-diol

5-Hydroxy-1-tetralone

(+/-)-(4ar,8ac)-decahydro-naphthalene-1c,5t-diol

Refernces

• 1、 Paulson, Basil P.,Curtiss, Larry A.,Bal,Closs, Gerhard L.,Miller, John R.. "Investigation of through-bond coupling dependence on spacer structure". . p. 378 - 387. Retrieved 2007/10/03.