4-Bromononan-5-one

Base Information

• Chemical Name: 4-Bromononan-5-one
• CAS No.: 42330-11-0
• Molecular Formula: C9H17BrO
• Molecular Weight: 221.137
• Hs Code.: 2914700090
• European Community (EC) Number: 679-488-8
• DSSTox Substance ID: DTXSID00474883
• Nikkaji Number: J1.033.838G
• Mol file: 42330-11-0.mol

Synonyms:4-bromononan-5-one;42330-11-0;4-bromo-5-nonanone;4-Bromo-5-nonanone,98%;DTXSID00474883;MFCD09757527;AKOS022178952;CS-0452432

Chemical Property of 4-Bromononan-5-one

Chemical Property:

• Vapor Pressure: 0.028mmHg at 25°C
• Refractive Index: 1.4600
• Boiling Point: 246.162oC at 760 mmHg
• Flash Point: 23.952oC
• PSA: 17.07000
• Density: 1.178g/cm3
• LogP: 3.30930
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 220.04628
• Heavy Atom Count: 11
• Complexity: 112

Purity/Quality:

97% ^*data from raw suppliers

4-BROMONONAN-5-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)C(CCC)Br

Technology Process of 4-Bromononan-5-one

There total 2 articles about 4-Bromononan-5-one 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:

5-nonanol (623-93-8) → nonanone-5 (502-56-7) + 4-bromononan-5-one (42330-11-0)

Guidance literature:

With ammonium cerium (IV) nitrate; lithium bromide; In water; acetonitrile; at 65 ℃; for 0.5h;

DOI:10.1007/s11172-010-0091-6

Reference yield:

N-(1-butyl-pentyl)-acetamide → nonanone-5 (502-56-7) + 4-bromononan-5-one (42330-11-0)

Guidance literature:

With bromine; In water; 1,2-dichloro-ethane; at 20 ℃; for 3h; Further Variations:; Reagents; Product distribution;

DOI:10.1039/b008965f

Reference yield: 96.0%

4-bromononan-5-one (42330-11-0) → nonanone-5 (502-56-7)

Guidance literature:

With phenylsilane; sodium hydrogencarbonate; triphenylphosphine; In tetrahydrofuran; for 1.33333h; Heating;

DOI:10.1021/jo00234a012

upstream raw materials:

5-nonanol

Downstream raw materials:

nonanone-5

4-phenylthio-5-nonanone

Refernces

• 1、 Kapustina,Sokova,Nikishin. "Oxidation of primary and secondary alkanols with the CeIII-LiBr- H2O2 system". experimental part. p. 1284 - 1288. Retrieved 2011/02/23.