4607-63-0

Basic information

• Product Name: Benzeneacetic acid, a-hydroxy-4-(1-methylethyl)-
• CAS NO: 4607-63-0
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• Mol File: 4607-63-0.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: Benzeneacetic acid, a-hydroxy-4-(1-methylethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzeneacetic acid, a-hydroxy-4-(1-methylethyl)-(4607-63-0)
• EPA Substance Registry System: Benzeneacetic acid, a-hydroxy-4-(1-methylethyl)-(4607-63-0)

Safety Data

• Hazardous Substances Data: 4607-63-0(Hazardous Substances Data)

Upstream product

• 74-90-8 hydrogen cyanide 
• 122-03-2 (4-isopropylbenzaldehyde) 
• 151-50-8 potassium cyanide 
• 98-82-8 Isopropylbenzene 
• 609-09-6 Diethyl ketomalonate 
• 75-25-2 Bromoform 
• 91132-18-2 2-hydroxy-2-(4-isopropylphenyl)acetonitrile 
• 51208-83-4 2-(4-isopropylphenyl)-2-oxoacetic acid 

Downstream Products

• 4476-28-2 (4-isopropylphenyl)acetic acid 
• 51208-83-4 2-(4-isopropylphenyl)-2-oxoacetic acid 
• 165263-45-6 DL-α-Chlor-p-cumenylessigsaeure 
• 421545-72-4 5-(4-isopropyl-phenyl)-[1,3]dioxolane-2,4-dione 
• 1206733-80-3 6-bromo-3-(4-isopropylphenyl)-4,5,7-trimethyl-1-benzofuran-2(3H)-one 
• 105401-52-3 methyl 2-hydroxy-2-[4-(propan-2-yl)phenyl] acetate 

Relevant articles and documents

Chemoenzymatic Preparation of Enantiomerically Enriched (R)-(–)-Mandelic Acid Derivatives: Application in the Synthesis of the Active Agent Pemoline

The enantioselective resolution of several racemic derivatives of mandelic acid methyl ester catalyzed by lipases from Pseudomonas fluorescens (Amano AK) or Burkholderia cepacia (Amano PS-C II and Amano PS-IM) has been achieved. A gram-scale lipase-mediated kinetic resolution approach has been developed that allows the facile synthesis of the corresponding methyl (R)-(–)-mandelates with excellent enantiomeric excesses (up to >99 % ee) and reaction enantioselectivity (E values up to >200). The dopaminergic agent pemoline, used in the treatment of attention-deficit hyperactivity disorder (ADHD) and narcolepsy, was synthesized with 98 % ee in a straightforward route by condensing the prepared methyl (R)-(–)-mandelate with guanidine hydrochloride under basic conditions. The desired (R)-(+)-pemoline in optically pure form (>99 % ee) was obtained after two recrystallizations from ethanol. However, it was confirmed by chiral HPLC that optically active pemoline undergoes racemization in methanol solution.

CANNABINOID RECEPTOR MODULATOR

A cannabinoid receptor modulator containing a compound represented by Formula (I0) wherein, X is an oxygen atom, etc., R° is an optionally substituted acylamino group, ring A0 is a benzene ring which may further have a substituent in addition to R°, and ring B is an optionally substituted 5-membered heterocycle, or a salt thereof or a prodrug thereof.