4-(4-Methylphenyl)butanol

Base Information

• Chemical Name: 4-(4-Methylphenyl)butanol
• CAS No.: 53392-07-7
• Molecular Formula: C11H16O
• Molecular Weight: 164.247
• UNII: 2EFW9F0C3U
• DSSTox Substance ID: DTXSID70872034
• Nikkaji Number: J3.539.492C
• Wikidata: Q27254627
• Mol file: 53392-07-7.mol

Synonyms:4-(4-methylphenyl)butan-1-ol;53392-07-7;4-(4-Methylphenyl)butanol;benzenebutanol, 4-methyl-;4-(p-Tolyl)butan-1-ol;4-p-Tolylbutanol;4-p-Tolylbutan-1-ol;1-Butanol, 4-p-tolyl-;4-(p-Tolyl)-1-butanol;4-Methyl-benzenebutanol;2EFW9F0C3U;UNII-2EFW9F0C3U;EINECS 257-511-9;4-methylbenzenebutanol;4-(p-Tolyl)-n-butanol;4-(4-Methylphenyl) butanol;SCHEMBL285785;DTXSID70872034;MUQMCEBEBSCGLB-UHFFFAOYSA-N;GEO-02762;MFCD11592101;AKOS006319118;CS-0331850;Q27254627

Chemical Property of 4-(4-Methylphenyl)butanol

Chemical Property:

• Boiling Point: 278.5±19.0 °C(Predicted)
• PKA: 15.15±0.10(Predicted)
• PSA: 20.23000
• Density: 0.971±0.06 g/cm3(Predicted)
• LogP: 2.31000
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 164.120115130
• Heavy Atom Count: 12
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

4-p-tolylbutan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)CCCCO

Technology Process of 4-(4-Methylphenyl)butanol

There total 11 articles about 4-(4-Methylphenyl)butanol 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: 43.0%

trans-3-chloro-2-p-tolylphenyltetrahydrofuran (101971-33-9) → 4-(4-methylphenyl)butan-1-ol (53392-07-7) + (E)-4-(4-methylphenyl)but-3-en-1-ol (20840-08-8) + (Z)-4-(4-methylphenyl)but-3-en-1-ol (92587-73-0)

Guidance literature:

With sodium; In diethyl ether;

Reference yield: 43.0%

trans-3-chloro-2-p-tolyltetrahydropyran (76978-36-4,101971-23-7) → 4-(4-methylphenyl)butan-1-ol (53392-07-7) + (E)-4-(4-methylphenyl)but-3-en-1-ol (20840-08-8) + (Z)-4-(4-methylphenyl)but-3-en-1-ol (92587-73-0)

Guidance literature:

With sodium; In toluene; Title compound not separated from byproducts;

Reference yield:

4-(4-methylphenyl)butyric acid (4521-22-6) → 4-(4-methylphenyl)butan-1-ol (53392-07-7)

Guidance literature:

Multistep reaction; (i) CH₂N₂, (ii) LiAlH₄;

DOI:10.1021/ja00823a020

upstream raw materials:

ethyl 4-(4-methylphenyl)butanoate

trans-3-chloro-2-p-tolylphenyltetrahydrofuran

trans-3-chloro-2-p-tolyltetrahydropyran

4-(4-methylphenyl)butyric acid

Downstream raw materials:

1-bromo-4-(4'-methylphenyl)butane

4-(4-Methylcyclohexyl)-butylchlorid

4-(p-tolyl)butanal

[2-Amino-5-(2-p-tolyl-ethyl)-thiophen-3-yl]-(2-chloro-phenyl)-methanone

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