p-Methyl-alpha-propylbenzyl alcohol

Base Information

• Chemical Name: p-Methyl-alpha-propylbenzyl alcohol
• CAS No.: 6282-37-7
• Molecular Formula: C11H16 O
• Molecular Weight: 164.247
• European Community (EC) Number: 228-496-6
• NSC Number: 15679,7018
• DSSTox Substance ID: DTXSID301302761
• Nikkaji Number: J206.839G
• Mol file: 6282-37-7.mol

Synonyms:6282-37-7;1-(4-methylphenyl)butan-1-ol;p-Methyl-alpha-propylbenzyl alcohol;1-(p-Tolyl)butan-1-ol;1-(4-Methylphenyl)-1-butanol;4-Methyl-alpha-propylbenzenemethanol;EINECS 228-496-6;AI3-20569;NSC7018;SCHEMBL540784;1-(4-Methylphenyl)-butan-1-ol;DTXSID301302761;4-Methyl-alpha-propylbenzyl alcohol;NSC 7018;NSC-7018;NSC15679;NSC 15679;NSC-15679;AKOS010015787;SB85239;Benzenemethanol, 4-methyl-alpha-propyl-;FT-0619055

Chemical Property of p-Methyl-alpha-propylbenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.0184mmHg at 25°C
• Boiling Point: 242.3°C at 760 mmHg
• Flash Point: 107.8°C
• PSA: 20.23000
• Density: 0.967g/cm³
• LogP: 2.82850
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 164.120115130
• Heavy Atom Count: 12
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

dl-p-Methyl-a-(n-propyl)-benzylalchol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C1=CC=C(C=C1)C)O

Technology Process of p-Methyl-alpha-propylbenzyl alcohol

There total 8 articles about p-Methyl-alpha-propylbenzyl alcohol 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%

1-propylmagnesium chloride (2234-82-4) + 4-methyl-benzaldehyde (104-87-0) → 1-(4-methylphenyl)butanol (6282-37-7)

Guidance literature:

In diethyl ether; at 0 ℃; for 0.5h;

Reference yield:

1-(4-methylphenyl)butan-1-one (4160-52-5) → p-butyltoluene (1595-05-7) + 1-(4-methylphenyl)butanol (6282-37-7)

Guidance literature:

With copper oxide-chromium oxide; at 110 - 125 ℃; under 161812 - 176522 Torr; Hydrogenation;

DOI:10.1021/jo01158a018

Reference yield:

4-methyl-benzaldehyde (104-87-0) + propyl bromide (106-94-5) → 1-(4-methylphenyl)butanol (6282-37-7)

Guidance literature:

propyl bromide; With magnesium; In diethyl ether; for 1h; Inert atmosphere; Reflux;

4-methyl-benzaldehyde; In diethyl ether; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1002/ejoc.201403032

upstream raw materials:

1-(4-methylphenyl)butan-1-one

n-propylmagnesium bromide

4-methyl-benzaldehyde

1-propylmagnesium chloride

Downstream raw materials:

1-(4-methylphenyl)butan-1-one

methyl (S)-2-(4-bromophenyl)-3-(4-butylphenyl)propanoate

1-but-1-enyl-4-methyl-benzene

2-hydroxy-1-(p-tolyl)butan-1-one

Refernces

• 1、 Guha, Somraj,Kazi, Imran,Mukherjee, Pranamita,Sekar, Govindasamy. "Halogen-bonded iodonium ion catalysis: A route to α-hydroxy ketones: Via domino oxidations of secondary alcohols and aliphatic C-H bonds with high selectivity and control". supporting information. p. 10942 - 10945. Retrieved 2017/10/13.
• 2、 Qin, Changming,Davies, Huw M. L.. "Role of sterically demanding chiral dirhodium catalysts in site-selective C-H functionalization of activated primary C-H bonds". supporting information. p. 9792 - 9796. Retrieved 2014/07/22.