1-(4-Methylphenyl)-1-propanol

Base Information

• Chemical Name: 1-(4-Methylphenyl)-1-propanol
• CAS No.: 25574-04-3
• Molecular Formula: C10H14 O
• Molecular Weight: 150.221
• Hs Code.: 2902909090
• European Community (EC) Number: 623-639-2
• DSSTox Substance ID: DTXSID20383165
• Nikkaji Number: J437.220D
• Mol file: 25574-04-3.mol

Synonyms:1-(4-Methylphenyl)-1-propanol;25574-04-3;1-(4-methylphenyl)propan-1-ol;1-(p-Tolyl)propan-1-ol;(S)-alpha-(4'-Methylphenyl)propanol;(R)-(+)-1-(4'-Methylphenyl)-1-propanol;73854-03-2;1-(p-Tolyl)-1-propanol;ghl.PD_Mitscher_leg0.796;Aethyl-p-tolylcarbinol;1-p-tolylpropan-1-ol;rac-1-p-tolyl-propan-1-ol;SCHEMBL874873;DTXSID20383165;1-(4-Methyphenyl)-propan-1-ol;ZBDUWPZEVMGAMD-UHFFFAOYSA-N;AKOS000125331;AKOS022257888;1-(4-Methylphenyl)-1-propanol, 97%;CS-0216650;EN300-53617;N12074;J-016054;Z228586316

Chemical Property of 1-(4-Methylphenyl)-1-propanol

Chemical Property:

• Vapor Pressure: 0.0403mmHg at 25°C
• Refractive Index: n20/D 1.5180(lit.)
• Boiling Point: 234-235 °C(lit.)
• PKA: 14.56±0.20(Predicted)
• Flash Point: >230 °F
• PSA: 20.23000
• Density: 0.979 g/mL at 25 °C(lit.)
• LogP: 2.43840
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 103

Purity/Quality:

99%, ^*data from raw suppliers

1-(4-Methylphenyl)propan-1-ol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CC=C(C=C1)C)O
• Uses: 1-(4-Methylphenyl)propan-1-ol is used in method for synthesizing alkyne compound by catalytic asymmetric cross-coupling reaction.

Technology Process of 1-(4-Methylphenyl)-1-propanol

There total 75 articles about 1-(4-Methylphenyl)-1-propanol 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: 100.0%

diethylzinc (557-20-0) + 4-methyl-benzaldehyde (104-87-0) → (S)-1-(4-methylphenyl)propan-1-ol (25574-04-3,112777-65-8,138809-38-8,73854-03-2)

Guidance literature:

(1S)-1-(9-piperidylfluoren-9-yl)ethanol; In hexane; toluene; at 0 ℃; for 4h;

DOI:10.1055/s-2000-6229

Reference yield: 99.0%

4'-methylpropiophenone (5337-93-9) → (S)-1-(4-methylphenyl)propan-1-ol (25574-04-3,112777-65-8,138809-38-8,73854-03-2)

Guidance literature:

With triiron dodecarbonyl; C₅₂H₅₈N₄P₂; hydrogen; potassium hydroxide; In methanol; at 45 ℃; for 10h; under 37503.8 Torr; enantioselective reaction;

DOI:10.1021/ja5003636

Reference yield: 99.0%

diethylzinc (557-20-0) + 4-methyl-benzaldehyde (104-87-0) → (R)-1-(4-methylphenyl)-1-propanol (25574-04-3,73854-03-2,138809-38-8,112777-65-8)

Guidance literature:

diethylzinc; With (1R,3S)-1-tert-butyl-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-ol; In hexane; toluene; at 20 ℃; for 0.0833333h;

4-methyl-benzaldehyde; In hexane; toluene; at 20 ℃; for 3h; Reagent/catalyst; Temperature; enantioselective reaction; Catalytic behavior;

DOI:10.1055/s-0037-1609224

upstream raw materials:

ethylmagnesium iodide

4-methyl-benzaldehyde

3,5-Bis--1,2,4-trithiolan

4'-methylpropiophenone

Downstream raw materials:

(E)-1-methyl-4-(prop-1-enyl)benzene

4'-methylpropiophenone

(R)-1-(4-methylphenyl)-1-propanol

(S)-1-(4-methylphenyl)propan-1-ol

Refernces

• 1、 -. "Pincerlike molybdenum complex and preparation method thereof, catalytic composition and application thereof, and alcohol preparation method". Paragraph 0125-0130. . Retrieved 2021/08/11.
• 2、 Jia, Wei-Guo,Gao, Li-Li,Zhi, Xue-Ting,Li, Xiao-Dong,Wang, Zhi-Bao,Sun, Ying. "Half-sandwich rhodium complexes with phenylene-based SCS ligands: Synthesis, characterization and catalytic activities for transfer hydrogenation of ketones". . . Retrieved 2020/12/30.