2-Methyl-3-phenylpropanol

Base Information

• Chemical Name: 2-Methyl-3-phenylpropanol
• CAS No.: 7384-80-7
• Deprecated CAS: 78964-61-1
• Molecular Formula: C₁₀H₁₄O
• Molecular Weight: 150.221
• European Community (EC) Number: 230-961-3
• NSC Number: 26440
• UNII: TEN58PSM3D
• DSSTox Substance ID: DTXSID10884378
• Nikkaji Number: J278.798I
• Mol file: 7384-80-7.mol

Synonyms:2-methyl-3-phenyl-1-propanol

Chemical Property of 2-Methyl-3-phenylpropanol

Chemical Property:

• Vapor Pressure: 0.0147mmHg at 25°C
• Melting Point: 84 °C
• Boiling Point: 246.1°C at 760 mmHg
• PKA: 15.03±0.10(Predicted)
• Flash Point: 106.2°C
• PSA: 20.23000
• Density: 0.98g/cm³
• LogP: 1.85750
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 95

Purity/Quality:

99.9% ^*data from raw suppliers

2-Methyl-3-phenylpropan-1-ol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC=CC=C1)CO

Technology Process of 2-Methyl-3-phenylpropanol

There total 201 articles about 2-Methyl-3-phenylpropanol 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: 93.0%

methanol (67-56-1) + 3-Phenyl-1-propanol (122-97-4) → 2-methyl-3-phenylpropanol (22436-06-2,77943-96-5,78964-61-1,7384-80-7)

Guidance literature:

With potassium hydroxide; In water; for 16h; Autoclave; Heating;

DOI:10.1002/cssc.201701607

Reference yield: 90.0%

(2'S,4R,5S)-3-(2'-methyl-3'-phenylpropionyl)-4-methyl-5-phenyloxazolidin-2-one (80697-94-5) → 4-methyl-5-phenyloxazolidin-2-one (77943-39-6) + (S)-2-methyl-3-phenylpropan-1-ol (7384-80-7,77943-96-5,78964-61-1,22436-06-2)

Guidance literature:

With Cp*RuCl{(C6H5)2P-(CH2)2NH2-κ2-P,N}; potassium tert-butylate; hydrogen; In isopropyl alcohol; at 80 ℃; for 20h; under 22502.3 Torr; optical yield given as %ee; Autoclave;

DOI:10.1002/anie.200805307

Reference yield: 89.0%

2-benzylpropionaldehyde (5445-77-2) → 2-methyl-3-phenylpropanol (22436-06-2,77943-96-5,78964-61-1,7384-80-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃;

DOI:10.1016/j.tetasy.2003.09.049

upstream raw materials:

(2S)-2-methyl-3-phenylpropanal

2-methyl-3-phenylpropionic acid

benzyl bromide

(2'R,3'R,5R)-(-)-1-(3'-hydroxy-2'-methyl-3'-phenyl-1'-oxopropyl)-3,3,5-trimethyl-2-pyrrolidinone

Downstream raw materials:

2-methyl-3-phenylpropanoic acid

1-phenyl-2-methyl-3-bromopropane

rac-1-Chlor-2-methyl-3-phenylpropan

DL-2-Methyl-3-phenyl-propylazidoformiat

Refernces

• 1、 Lu, Zeye,Zheng, Qingshu,Zeng, Guangkuo,Kuang, Yunyan,Clark, James H.,Tu, Tao. "Highly efficient NHC-iridium-catalyzed β-methylation of alcohols with methanol at low catalyst loadings". . p. 1361 - 1366. Retrieved 2021/06/30.
• 2、 Ruiz-Casta?eda, Margarita,Santos, Lucía,Manzano, Blanca R.,Espino, Gustavo,Jalón, Félix A.. "A Water/Toluene Biphasic Medium Improves Yields and Deuterium Incorporation into Alcohols in the Transfer Hydrogenation of Aldehydes". . p. 1358 - 1372. Retrieved 2021/03/16.