5-METHYL-1-PHENYL-3-HEXANONE

Base Information

• Chemical Name: 5-METHYL-1-PHENYL-3-HEXANONE
• CAS No.: 78987-82-3
• Molecular Formula: C13H18O
• Molecular Weight: 190.285
• Mol file: 78987-82-3.mol

Synonyms:5-methyl-1-phenyl-3-hexanone;5-Methyl-1-phenyl-hexan-3-on;5-methyl-1-phenyl-hexan-3-one;

Chemical Property of 5-METHYL-1-PHENYL-3-HEXANONE

Chemical Property:

• Vapor Pressure: 0.00591mmHg at 25°C
• Boiling Point: 272.9°Cat760mmHg
• Flash Point: 104.8°C
• PSA: 17.07000
• Density: 0.94g/cm³
• LogP: 3.23440

Purity/Quality:

99% ^*data from raw suppliers

5-Methyl-1-phenyl-3-hexanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 5-METHYL-1-PHENYL-3-HEXANONE

There total 10 articles about 5-METHYL-1-PHENYL-3-HEXANONE 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%

4-methyl-2-pentanone (108-10-1) + benzyl alcohol (100-51-6,185532-71-2) → 5-Methyl-1-phenyl-3-hexanone (78987-82-3)

Guidance literature:

With C₂₆H₄₂ClN₂Ru⁽¹⁺⁾*F₆P^(1-); potassium hydroxide; In toluene; at 120 ℃; for 2h;

DOI:10.1002/aoc.4888

Reference yield: 95.0%

5-methyl-1-phenylhexan-3-ol (872309-99-4) → 5-Methyl-1-phenyl-3-hexanone (78987-82-3)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 0 - 20 ℃; for 14h;

DOI:10.1039/c5ob02320c

Reference yield: 77.0%

2-methylpropylmagnesium chloride (5674-02-2) + hydrocinnamic acid chloride (645-45-4) → 5-Methyl-1-phenyl-3-hexanone (78987-82-3)

Guidance literature:

With copper(l) iodide; In tetrahydrofuran; at -78 - 20 ℃; for 18h;

DOI:10.1021/acs.orglett.6b03870

upstream raw materials:

3-methylbutyric acid

3-Phenylpropionic acid

5-methyl-1-phenyl-hex-1-en-3-one

Isobutyl iodide

Downstream raw materials:

5,6-dihydro-4-hydroxy-6-(2-methylpropyl)-6-phenylethyl-2H-pyran-2-one

4-benzyl-3-isobutylisoquinoline

(5-methyl-hexyl)-cyclohexane

3-methyl-1-phenethyl-butylamine

Refernces

• 1、 Sevim, Mehmet,Kavukcu, Serdar Batikan,Kinal, Arma?an,?ahin, Onur,Türkmen, Hayati. "C-C coupling formation using nitron complexes". supporting information. p. 16903 - 16915. Retrieved 2020/12/18.
• 2、 Cao, Xiao-Niu,Wan, Xiao-Min,Yang, Fa-Liu,Li, Ke,Hao, Xin-Qi,Shao, Tian,Zhu, Xinju,Song, Mao-Ping. "NNN pincer Ru(II)-complex-catalyzed α-alkylation of ketones with alcohols". . p. 3657 - 3668. Retrieved 2018/04/14.