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(1-hydroxycyclohexyl)(phenyl)acetic acid, also known as HPCA, is a carboxylic acid derivative with a molecular formula C18H20O3. It features a cyclohexyl ring and a phenyl group connected to a carboxylic acid, giving it a unique structure that contributes to its diverse applications.

5449-68-3

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5449-68-3 Usage

Uses

Used in Pharmaceutical Synthesis:
HPCA is utilized as an intermediate in the synthesis of various pharmaceuticals, playing a crucial role in the development of new medications due to its chemical properties.
Used in Perfumery and Fragrance Production:
HPCA serves as a key ingredient in the production of perfumes and fragrances, valued for its pleasant aroma that enhances the sensory experience of these products.
Used in Anti-inflammatory and Analgesic Research:
HPCA has been studied for its potential anti-inflammatory and analgesic properties, indicating its possible use in the development of treatments for pain and inflammation. However, further research is necessary to fully explore and understand its pharmacological potential.
Used in Chemical Research:
As a versatile chemical compound, HPCA is also used in chemical research for understanding its properties and exploring its potential applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 5449-68-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,4 and 9 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 5449-68:
(6*5)+(5*4)+(4*4)+(3*9)+(2*6)+(1*8)=113
113 % 10 = 3
So 5449-68-3 is a valid CAS Registry Number.

5449-68-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(1-hydroxycyclohexyl)-2-phenylacetic acid

1.2 Other means of identification

Product number -
Other names (1-Hydroxy-cyclohexyl)-phenyl-essigsaeure

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5449-68-3 SDS

5449-68-3Relevant academic research and scientific papers

OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF

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Paragraph 0452-0453, (2013/09/26)

Compounds of Formula (I) and Formula (II) are useful inhibitors of tankyrase. Compounds of Formula (I) and Formula (II) have the following structure: where the definitions of the variables are provided herein.

SYNTHETIS OF CYCLIC AND ACYCLIC β,γ-UNSATURATED CARBOXYLIC ACIDS VIA AN E1-TYPE IONIZATION/ELIMINATION OF β-LACTONES

Black, T. Howard,Eisenbeis, Shane A.,McDermott, Todd S.,Maluleka, Stephen L.

, p. 2307 - 2316 (2007/10/02)

Cyclic and acyclic ketones were converted in three steps into 3-alkenoic acids, bearing a variety of substituents in the α-position.The sequence, involving ionization/elimination of a β-lactone, affords high yields of pure products uncontaminated with conjugated isomers.Support for an E1-type mechanism is also provided.

AN EFFICIENT, HIGHLY REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED (1-CYCLOHEXENYL) ACETIC ACID DERIVATIVES VIA IONIZATION/ELIMINATION OF β-LACTONES

Black, T. Howard,Maluleka, Stephen L.

, p. 531 - 534 (2007/10/02)

When treated with magnesium bromide, spiro β-lactones undergo an ionization/elimination reaction to afford cyclohexenyl acetic acid derivatives in high yield and isomeric purity.

Kinetics and Mechanism of the Ivanov Reaction: Reaction of Aldehydes and Ketones with Phenylacetic Acit Magnesium Enediolate

Toullec, Jean,Mladenova, Margarita,Gaudemar-Bardone, Francoise,Blagoev, Blagoi

, p. 2563 - 2569 (2007/10/02)

Stopped-flow kinetics of the reaction between aldehydes or ketones and the magnesium enediolate of phenylacetic acid in THF are second order at enediolate concentrations -3 M.At concentrations of 10-3 - 3*10-2 M, the formation of a bis(enediolate) requires a more complex kinetic equation.Second-order rate constans are reported for the reaction of the enediolate with a number of aldehydes and ketones at 25 deg C.Entropies of activation for cyclohexanone, benzaldehyde, 2-methylpropanal, and 2,2-dimethylpropanal are positive, and enthalpy-entropy compensation is observed.Ef fects of cycloalkanone ring size and benzaldehyde substituents are small and are ascribable to a transition state with a very small C-C bond order.A two-step mechanism is proposed, with preequilibrium formation of a coordination intermediate which, in some cases, is accompanied by a change in the magnesium coordination number.Effects of alkyl groups on aldehyde and ketone reactivity stem mainly from steric desolvation.

STRUCTURE DU REACTIF D'IVANOV ET DE QUELQUES ORGANOMETALLIQUES ISSUS DES DERIVES PHENYLACETIQUES-II. STEREOCHEMIE DE LA CONDENSATION AVEC LA t-BUTYL-4 CYCLOHEXANONE

Mladenova, M.,Blagoev, B.,Gaudemar, M.,Gaudemar-Bardone, F.,Lallemand, J. Y.

, p. 2157 - 2164 (2007/10/02)

Ivanov reagent and some other analogous reagents (phenyl acetique serie) have been condensed with t-Bu-4 cyclohexanone in order to complete investigation of the reactive species.In all the cases, equatorial attack is highly predominant; it let suppose tha

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