3-Methyl-1-phenyl-3-pentanol

Base Information

• Chemical Name: 3-Methyl-1-phenyl-3-pentanol
• CAS No.: 10415-87-9
• Deprecated CAS: 7321-45-1
• Molecular Formula: C12H18 O
• Molecular Weight: 178.274
• European Community (EC) Number: 233-889-0
• NSC Number: 60568
• UNII: 53PK0CX9TS
• DSSTox Substance ID: DTXSID60864266
• Nikkaji Number: J28.641I
• Metabolomics Workbench ID: 45065
• Mol file: 10415-87-9.mol

Synonyms:1-phenyl-3-methyl-3-pentanol

Chemical Property of 3-Methyl-1-phenyl-3-pentanol

Chemical Property:

• Vapor Pressure: 0.00254mmHg at 25°C
• Melting Point: 3 °C
• Refractive Index: n20/D 1.511(lit.)
• Boiling Point: 274.9 ºC at 760 mmHg
• PKA: 15.17±0.29(Predicted)
• Flash Point: 111.2 ºC
• PSA: 20.23000
• Density: 0.959 g/cm³
• LogP: 2.78020
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

3-Methyl-1-phenyl-3-pentanol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(CCC1=CC=CC=C1)O

Technology Process of 3-Methyl-1-phenyl-3-pentanol

There total 17 articles about 3-Methyl-1-phenyl-3-pentanol 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%

1-phenyl-3-methyl-3-(triethylsilyl)oxy-1-pentyne (20125-66-0) → 3-methyl-1-phenylpentan-3-ol (10415-87-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 24h;

DOI:10.1039/b211313a

Reference yield: 95.0%

ethyl bromide (74-96-4) + 4-Phenyl-2-butanone (2550-26-7) → 3-methyl-1-phenylpentan-3-ol (10415-87-9)

Guidance literature:

ethyl bromide; With magnesium; In diethyl ether; at 20 ℃; for 1h; Reflux;

4-Phenyl-2-butanone; In diethyl ether; for 2h; Reflux;

DOI:10.1002/ejoc.201500051

Reference yield: 87.0%

4-Phenyl-2-butanone (2550-26-7) → 3-methyl-1-phenylpentan-3-ol (10415-87-9)

Guidance literature:

upstream raw materials:

ethylmagnesium iodide

4-Phenyl-2-butanone

phenethylmagnesium bromide

butanone

Downstream raw materials:

(±)-(3-fluoro-3-methylpentyl)benzene

Refernces

• 1、 Roblin,Davidson,Bogert. "-". . p. 151,155. Retrieved 1935.
• 2、 Gilheany, Declan G.,Kavanagh, Saranna E.. "Harnessing the Power of the Asymmetric Grignard Synthesis of Tertiary Alcohols: Ligand Development and Improved Scope Exemplified by One-Step Gossonorol Synthesis". supporting information. p. 8198 - 8203. Retrieved 2020/11/18.
• 3、 Dokli, Irena,Gredi?ak, Matija. "Mechanochemical ritter reaction: A rapid approach to functionalized amides at room temperature". supporting information. p. 2727 - 2732. Retrieved 2015/04/27.