2-Methyl-4-phenylpentanol

Base Information

• Chemical Name: 2-Methyl-4-phenylpentanol
• CAS No.: 92585-24-5
• Molecular Formula: C₁₂H₁₈O
• Molecular Weight: 178.274
• European Community (EC) Number: 402-770-7,801-873-8
• DSSTox Substance ID: DTXSID1052616
• Nikkaji Number: J3.308.943K
• Mol file: 92585-24-5.mol

Synonyms:2-methyl-4-phenylpentanol

Chemical Property of 2-Methyl-4-phenylpentanol

Chemical Property:

• Vapor Pressure: 0.00267mmHg at 25°C
• Refractive Index: 1.509
• Boiling Point: 274.1°Cat760mmHg
• Flash Point: 110.7°C
• PSA: 20.23000
• Density: 0.953g/cm³
• LogP: 2.80860
• Solubility.: 100000 in mg/100g standard fat at 20 ℃
• Water Solubility.: 234 mg l-1 (e)
• 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: 127

Purity/Quality:

99.9% ^*data from raw suppliers

PAMPLEFLEUR 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,N
• Statements: 43-51/53
• Safety Statements: 24-37-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(C)C1=CC=CC=C1)CO

Technology Process of 2-Methyl-4-phenylpentanol

There total 36 articles about 2-Methyl-4-phenylpentanol 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: 83.0%

acetic acid 2-methyl-4-phenylpent-1-yl ester → (2RS,4S)-2-methyl-4-phenylpentan-1-ol (848413-16-1,92585-24-5)

Guidance literature:

With potassium hydroxide; In methanol;

DOI:10.1021/jo048445j

Reference yield: 81.0%

(2RS,4S)-2-methyl-4-phenylpentanoic acid (848413-14-9) → (2RS,4S)-2-methyl-4-phenylpentan-1-ol (848413-16-1,92585-24-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; Heating;

DOI:10.1021/jo048445j

Reference yield: 80.0%

(2R*,3S*,4R*)-2-Methyl-3-<(2,4,6-trimethylphenyl)thio>-4-phenyl-1-pentanol (129315-47-5) → (2S*,4S*)-2-Methyl-4-phenyl-1-pentanol (129315-48-6,92585-24-5)

Guidance literature:

With ammonia; lithium; In diethyl ether; at -78 ℃; for 0.166667h;

DOI:10.1021/jo00311a013

upstream raw materials:

(2R*,3S*,4R*)-2-Methyl-3-<(2,4,6-trimethylphenyl)thio>-4-phenyl-1-pentanol

2-Phenylpropanal

(2R,3S,4R)-2-Methyl-4-phenyl-3-(2,4,6-trimethyl-phenylsulfanyl)-pentanal

(5R*,6S*,7R*)-3,3,5-Trimethyl-6-<(2,4,6-trimethylphenyl)thio>-7-phenyl-1-octen-4-one

Downstream raw materials:

(2RS,4R)-2-methyl-4-phenylpentanoic acid

Refernces

• 1、 Xu, Shiqing,Li, Haijun,Komiyama, Masato,Oda, Akimichi,Negishi, Ei-Ichi. "One-Step Homologation for the Catalytic Asymmetric Synthesis of Deoxypropionates". . p. 149 - 156. Retrieved 2017/01/09.
• 2、 Xu, Shiqing,Oda, Akimichi,Bobinski, Thomas,Li, Haijun,Matsueda, Yohei,Negishi, Ei-Ichi. "Highly Efficient, Convergent, and Enantioselective Synthesis of Phthioceranic Acid". supporting information. p. 9319 - 9322. Retrieved 2015/08/06.