9-Phosphabicyclo[3.3.1]nonane

Base Information

• Chemical Name: 9-Phosphabicyclo[3.3.1]nonane
• CAS No.: 13887-02-0
• Molecular Formula: C8H15 P
• Molecular Weight: 142.181
• Hs Code.: 2902199090
• European Community (EC) Number: 237-653-8
• UN Number: 2940
• DSSTox Substance ID: DTXSID7065673
• Nikkaji Number: J280.360G
• Wikidata: Q81992319
• Mol file: 13887-02-0.mol

Synonyms:9-Phosphabicyclo[3.3.1]nonane;13887-02-0;9-Phosphabicyclononanes;9-Phosphabicyclo(3.3.1)nonane;EINECS 237-653-8;SCHEMBL332356;DTXSID7065673;MFCD00078048;AKOS006273566;FT-0727272;(1S,5S)-9-PHOSPHABICYCLO[3.3.1]NONANE;W-110360;7-(BROMOMETHYL)-9-OXO-9H-XANTHENE-1-CARBOXYLICACID,METHYLESTER

Chemical Property of 9-Phosphabicyclo[3.3.1]nonane

Chemical Property:

• Vapor Pressure: 0.294mmHg at 25°C
• Boiling Point: 209.4°Cat760mmHg
• Flash Point: 80.4°C
• PSA: 13.59000
• Density: g/cm³
• LogP: 2.76990
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 142.091137476
• Heavy Atom Count: 9
• Complexity: 80.7
• Transport DOT Label: Spontaneously Combustible

Purity/Quality:

99% ^*data from raw suppliers

9-Phosphabicyclononanes in toluene, mixture of isomers, CYTOP 282T ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CCCC(C1)P2

Technology Process of 9-Phosphabicyclo[3.3.1]nonane

There total 3 articles about 9-Phosphabicyclo[3.3.1]nonane 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: 87.0%

9,9-Bis(hydroxymethyl)-9-phosphoniabicyclo<3.3.1>nonane chloride → 9-phosphabicyclo[3.3.1]-nonane (13887-02-0)

Guidance literature:

With sodium hydroxide; sodium hydrogensulfite; In pentane; for 1h;

DOI:10.1039/a703204h

Reference yield:

1,5-cis,cis-cyclooctadiene (1552-12-1,111-78-4) + phosphan (7803-51-2) → 9-phospha-9H-bicyclo[4.2.1]nonane (13396-80-0) + 9-phosphabicyclo[3.3.1]-nonane (13887-02-0)

Guidance literature:

2,2'-azobis-(2,4-dimethylvaleronitrile); In toluene; at 60 - 600 ℃;

Reference yield:

9,9-bis(hydroxymethyl)-9-phosphabicyclo[4.2.1]nonane + 9,9-bis(hydroxymethyl)-9-phosphabicyclo[3.3.1]nonane → 9-phosphabicyclo[3.3.1]-nonane (13887-02-0)

Guidance literature:

9,9-bis(hydroxymethyl)-9-phosphabicyclo[4.2.1]nonane; 9,9-bis(hydroxymethyl)-9-phosphabicyclo[3.3.1]nonane; With sodium hydroxide; In water; for 0.5h; pH=8.5;

With sodium hydroxide; sodium hydrogensulfite; In water; toluene; for 0.5h; pH=12;

upstream raw materials:

1,5-cis,cis-cyclooctadiene

phosphan

Downstream raw materials:

9-(2,4,6-trimethylbenzoyl)-9-phosphabicyclo[4.2.1]nonane 9-oxide

9-(2,4,6-Trimethylbenzoyl)-9-phosphabicyclo[3.3.1]nonan-9-oxide

(Cp(*))Ru(C₅H₃(CH(Me)PC₈H₁₄)(PPh₂)-1,2)

C₂₂H₂₈P₂