Pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol

Base Information

• Chemical Name: Pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol
• CAS No.: 54397-80-7
• Molecular Formula: C₁₁H₁₄O₂
• Molecular Weight: 178.231
• NSC Number: 177461,124100
• DSSTox Substance ID: DTXSID90969516
• ChEMBL ID: CHEMBL2041535

Synonyms:54397-80-7;56143-86-3;octahydro-1H-2,4,1-(ethane[1,1,2]triyl)cyclobuta[cd]pentalene-5,7-diol;(8R,11S)-Pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol;pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol;NSC177461;Oprea1_597917;CHEMBL2041535;DTXSID90969516;HMS1787K04;RCL S975958;NSC124100;STL324722;AKOS001033421;AKOS016874995;NSC-124100;NSC-177461;Z56762200

Chemical Property of Pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol

Chemical Property:

• Vapor Pressure: 1.38E-07mmHg at 25°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 285

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2C3C4C1C5C2C(C3C4C5O)O

Technology Process of Pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol

There total 12 articles about Pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol 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: 100.0%

Cookson's diketone (2958-72-7) → pentacyclo<5.4.0.02,6.03,10.05,9>undecane-endo-8-endo-11-diol (54397-80-7)

Guidance literature:

With sodium tetrahydroborate; for 168h; Ambient temperature;

DOI:10.1016/S0040-4020(01)82311-5

Reference yield: 90.0%

Cookson's diketone (2958-72-7) → 3α,6β-Dihydroxy-pentacyclo[6,2,1,02,7,04,10,05,9]undecan (54397-80-7,56143-85-2,56143-86-3,74497-77-1)

Guidance literature:

With sodium tetrahydroborate; cerium(III) chloride; In methanol; at 0 ℃; for 0.0833333h;

DOI:10.1021/jo00359a054

Reference yield: 81.0%

(1R,4S,4aR,5R,8S,8aS)-1,4,4a,5,8,8a-Hexahydro-1,4-methano-naphthalene-5,8-diol (164453-61-6) → 3α,6β-Dihydroxy-pentacyclo[6,2,1,02,7,04,10,05,9]undecan (54397-80-7,56143-85-2,56143-86-3,74497-77-1)

Guidance literature:

In acetone; for 14h; Irradiation;

DOI:10.1021/jo00359a054

upstream raw materials:

Cookson's diketone

(1R,4S,4aR,5R,8S,8aS)-1,4,4a,5,8,8a-Hexahydro-1,4-methano-naphthalene-5,8-diol

pentacyclo[5.4.0.0^2,6.0^3,10.0^5,9]undecane-8,11-dione

norbornenoquinone

Downstream raw materials:

12-oxahexacyclo<5.4.1.0^2,6.0^3,10.0^5,9.0^8,11>dodecane

4-oxa-hexacyclo<5.4.1.0^2,6.0^3,10.0^5,9.0^8,11>dodecane

(+/-)-D₃-trishomocubanone

tetracyclo<6.3.0.0^4,11.0^5,9>undeca-2,6-diene

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