9-Butyl-9-borabicyclo[3.3.1]nonane

Base Information

• Chemical Name: 9-Butyl-9-borabicyclo[3.3.1]nonane
• CAS No.: 23532-74-3
• Molecular Formula: C12H23 B
• Molecular Weight: 178.126
• Hs Code.: 2902199090
• European Community (EC) Number: 245-720-8
• DSSTox Substance ID: DTXSID00178117
• Nikkaji Number: J1.917.645B,J228.991A
• Wikidata: Q83048452
• Mol file: 23532-74-3.mol

Synonyms:9-Butyl-9-borabicyclo[3.3.1]nonane;23532-74-3;9-Butyl-9-borabicyclo(3.3.1)nonane;EINECS 245-720-8;C12H23B;DTXSID00178117;C12-H23-B;9-Borabicyclo[3.3.1]nonane, 9-butyl-;9-Butyl-9-borabicyclo[3.3.1]nonane #;(1beta,5beta)-9-Butyl-9-borabicyclo[3.3.1]nonane

Chemical Property of 9-Butyl-9-borabicyclo[3.3.1]nonane

Chemical Property:

• Vapor Pressure: 0.0407mmHg at 25°C
• Boiling Point: 247.3°Cat760mmHg
• Flash Point: 103.4°C
• PSA: 0.00000
• Density: 0.83g/cm³
• LogP: 4.38950
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 178.1892809
• Heavy Atom Count: 13
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(C2CCCC1CCC2)CCCC

Technology Process of 9-Butyl-9-borabicyclo[3.3.1]nonane

There total 18 articles about 9-Butyl-9-borabicyclo[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: 96.0%

B-Br-9-BBN (22086-45-9) + n-butyllithium (109-72-8,29786-93-4) → 9-butyl-9-borabicyclo<3.3.1>nonane (23532-74-3)

Guidance literature:

With lithium bromide; In hexane; dichloromethane; pentane; at 20 ℃; for 1h; Inert atmosphere; Glovebox;

DOI:10.1039/c6cc05114f

Reference yield: 90.0%

copper(l) iodide (7681-65-4) + n-butyllithium (109-72-8,29786-93-4) + 9-bora-bicyclo[3.3.1]nonane (280-64-8) → 9-butyl-9-borabicyclo<3.3.1>nonane (23532-74-3)

Guidance literature:

In diethyl ether; byproducts: Cu, Li, C4H10; to the soln. of copper(I) iodide/ether n-butyl-lithium was added at 0°C, stirred for 10 min, cooled to -78°C, 9-BBN was added, allowed to warm to room temp, stirred for 1 h; decanted off, evapd. in vac., distd.;

DOI:10.1039/c39810000005

Reference yield: 84.0%

1-butylene (106-98-9,9003-28-5) + 9-bora-bicyclo[3.3.1]nonane (280-64-8) → 9-butyl-9-borabicyclo<3.3.1>nonane (23532-74-3)

Guidance literature:

In pentane; at 0 - 20 ℃;

DOI:10.1021/jo020736+

upstream raw materials:

n-butyllithium

9-methoxy-9-BBN

n-butyl magnesium bromide

9-triisopropylsilanylsulfanyl-9-bora-bicyclo[3.3.1]nonane

Downstream raw materials:

(E)-3-phenyl-3-octene

N-(quinoline-2-carbonyl)-DL-norleucine

1-butylnaphthalene

1-butylisoquinoline