110319-85-2

Basic information

• Product Name: (4-isobutylphenyl)Methanol
• Synonyms: (4-isobutylphenyl)Methanol;4-(2-Methylpropyl)benzeneMethanol;[4-(2-methylpropyl)phenyl]methanol
• CAS NO: 110319-85-2
• Molecular Formula: C₁₁H₁₆O
• Molecular Weight: 164.24414
• Mol File: 110319-85-2.mol
• Article Data: 9

Chemical Properties

• Appearance: /
• Storage Temp.: Refrigerator
• Solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
• CAS DataBase Reference: (4-isobutylphenyl)Methanol(CAS DataBase Reference)
• NIST Chemistry Reference: (4-isobutylphenyl)Methanol(110319-85-2)
• EPA Substance Registry System: (4-isobutylphenyl)Methanol(110319-85-2)

Safety Data

• Hazardous Substances Data: 110319-85-2(Hazardous Substances Data)

Usage

Uses

4-(2-Methylpropyl)benzenemethanol is used in the synthesis of hydroxamic acid inhibitors of 5-lipoxygenase.

Upstream product

• 40150-98-9 4-(2-methyl-1-propyl)benzaldehyde 
• 59016-93-2 p-hydroxymethylphenylboronic acid 
• 38861-78-8 1-(4-isobutyl-phenyl)-ethanone 
• 38861-88-0 4-isobutylbenzoic acid 

Downstream Products

• 119347-92-1 4-isobutylbenzyl bromide 
• 678994-91-7 methanesulfonic acid 4-isobutylbenzyl ester 
• 110319-78-3 N-hydroxy-N-methyl-3-<4-(2-methylpropyl)phenyl>propenamide 
• 41053-71-8 3-(4-Isobutyl-phenyl)-propionyl chloride 
• 66734-95-0 4-isobutylcinnamic acid 
• 945387-41-7 4-isobutylcinnamic acid chloride 
• 110319-77-2 N-Hydroxy-3-(4-isobutyl-phenyl)-N-methyl-propionamide 
• 65322-85-2 3-(4'-isobutylphenyl)propionic acid 
• 40150-98-9 4-(2-methyl-1-propyl)benzaldehyde 

Relevant articles and documents

Discovery of a 1-Methyl-3,4-dihydronaphthalene-Based Sphingosine-1-Phosphate (S1P) Receptor Agonist Ceralifimod (ONO-4641). A S1P1 and S1P5 Selective Agonist for the Treatment of Autoimmune Diseases

The discovery of 1-({6-[(2-methoxy-4-propylbenzyl)oxy]-1-methyl-3,4-dihydronaphthalen-2-yl}methyl)azetidine-3-carboxylic acid 13n (ceralifimod, ONO-4641), a sphingosine-1-phosphate (S1P) receptor agonist selective for S1P1 and S1P5, is described. While it has been revealed that the modulation of the S1P1 receptor is an effective way to treat autoimmune diseases such as relapsing-remitting multiple sclerosis (RRMS), it was also reported that activation of the S1P3 receptor is implicated in some undesirable effects. We carried out a structure-activity relationship (SAR) study of hit compound 6 with an amino acid moiety in the hydrophilic head region. Following identification of a lead compound with a dihydronaphthalene central core by inducing conformational constraint, optimization of the lipophilic tail region led to the discovery of 13n as a clinical candidate that exhibited >30 000-fold selectivity for S1P1 over S1P3 and was potent in a peripheral lymphocyte lowering (PLL) test in mice (ED50 = 0.029 mg/kg, 24 h after oral dosing).

1-SUBSTITUTED-3- BETA-D-GLUCOPYRANOSYLATED NITROGENOUS HETERO- CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME

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FUNGAL CELL WALL SYNTHESIS GENE

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