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2-(benzyloxy)-2-Methylpropanoic acid is a chemical compound with the molecular formula C13H16O3. It is an organic compound that features a benzyl group and a carboxylic acid group, making it a versatile building block in the synthesis of various bioactive molecules and therapeutic drugs.

87122-87-0

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87122-87-0 Usage

Uses

Used in Pharmaceutical and Chemical Synthesis:
2-(benzyloxy)-2-Methylpropanoic acid is used as a building block for the preparation of various bioactive molecules and therapeutic drugs. Its presence in these compounds contributes to their potential medicinal properties and effectiveness.
Used in Organic Reactions:
2-(benzyloxy)-2-Methylpropanoic acid is used as a protective group for carboxylic acids during organic synthesis. This role is crucial in preventing unwanted reactions and ensuring the selective formation of desired products.
Used in the Synthesis of Esters, Amides, and Other Organic Compounds:
2-(benzyloxy)-2-Methylpropanoic acid serves as a starting material for the synthesis of esters, amides, and other organic compounds. Its reactivity and structural features make it a valuable precursor in the formation of a wide range of chemical products.
Used in Medicinal Chemistry and Drug Discovery:
2-(benzyloxy)-2-Methylpropanoic acid has potential applications in the field of medicinal chemistry and drug discovery. Its unique structure and reactivity may lead to the development of new drugs and therapeutic agents with improved efficacy and reduced side effects.

Check Digit Verification of cas no

The CAS Registry Mumber 87122-87-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,7,1,2 and 2 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 87122-87:
(7*8)+(6*7)+(5*1)+(4*2)+(3*2)+(2*8)+(1*7)=140
140 % 10 = 0
So 87122-87-0 is a valid CAS Registry Number.

87122-87-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-methyl-2-phenylmethoxypropanoic acid

1.2 Other means of identification

Product number -
Other names benzyl ether of methyl-L-lactate

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:87122-87-0 SDS

87122-87-0Relevant academic research and scientific papers

COMBINATION TREATMENTS COMPRISING IMIDAZOPYRAZINONES FOR THE TREATMENT OF PSYCHIATRIC AND/OR COGNITIVE DISORDERS

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Page/Page column 121, (2018/05/24)

The present invention provides combination treatments comprising administration of compounds that are PDE1 enzyme inhibitors and other compounds useful in the treatment of psychiatric and/or cognitive disorders such as for example Attention Deficit Hyperactivity Disorder (ADHD), depression, anxiety, narcolepsy, schizophrenia, cognitive impairment or cognitive impairment associated with schizophrenia (CIAS). Separate aspects of the invention are directed to the combined use of said compounds for the treatment of psychiatric and/or cognitive disorders. The present invention also provides pharmaceutical compositions comprising said PDE1 enzyme inhibitors together with other compounds useful in the treatment of psychiatric and/or cognitive disorders.

COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF IMIDAZOPYRAZINONES

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Page/Page column 124-125, (2018/05/24)

The present invention provides combination treatments comprising administration of compounds that are PDE1 enzyme inhibitors and other compounds useful in the treatment of neurodegenerative disorders such as for example Alzheimer's Disease, Parkinson's Disease or Huntington's Disease. Separate aspects of the invention are directed to the combined use of said compounds for the treatment of neurodegenerative and/or cognitive disorders. The present invention also provides pharmaceutical compositions comprising said PDE1 enzyme inhibitors together with other compounds useful in the treatment of neurodegenerative disorders.

IMIDAZOPYRAZINONES AS PDE1 INHIBITORS

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Page/Page column 129, (2016/11/17)

The present invention provides imidazopyrazinones as PDE1 inhibitors and their use as a medicament, in particular for the treatment of neurodegenerative disorders and psychiatric disorders.

IMIDAZOTRIAZINONE COMPOUNDS

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Paragraph 0557; 0558, (2013/10/08)

The present invention provides imidazotriazinone compounds which are inhibitors of phosphodiesterase 9 and pharmaceutically acceptable salt thereof. The present invention further provides processes, pharmaceutical compositions, pharmaceutical preparations and pharmaceutical use of the compounds in the treatment of PDE9 associated diseases or disorders in mammals, including humans.

IMIDAZOTRIAZINONE COMPOUNDS

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Page/Page column 98-99, (2012/04/10)

The present invention provides imidazotriazinone compounds which are inhibitors of phosphodiesterase 9. The present invention further provides processes, pharmaceutical compositions, pharmaceutical preparations and pharmaceutical use of the compounds in the treatment of PDE9 associated diseases or disorders in mammals, including CNS or neurodegeneration disorder.

Ribavirin-interferon alfa combination therapy for eradicating detectable HCV-RNA in patients having chronic hepatitis C infection

-

, (2008/06/13)

Ribavirin derivatives represented by the formula II, pharmaceutical compositions containing them as well as methods of using the ribavirin derivatives represented by the formula II for the treatment of susceptible viral infections, for example, chronic hepatitis C infections administrating, the ribavirin derivatives being represented by formula II are disclosed.

The use of borane-amine adducts as versatile palladium-catalyzed hydrogen-transfer reagents in methanol

Couturier, Michel,Andresen, Brian M.,Tucker, John L.,Dubé, Pascal,Brenek, Steven J.,Negri, Joanna T.

, p. 2763 - 2766 (2007/10/03)

The scope of borane-amine adducts as reducing agents is broadened through palladium-catalyzed methanolysis capable of reducing a wide variety of functional groups. Hence, borane mediated reduction of a benzamide followed by a tandem methanolysis/hydrogenolysis of the resulting borane-benzylamine adduct allows chemoselective removal of an N-benzoyl in the presence of an O-benzoyl.

Mukaiyama Aldol Reactions Catalyzed by Zirconocene Bis(triflate) Complexes: Stereochemistry and Mechanisms for C-C Bond Formation

Lin, Shuqiong,Bondar, Georgiy V.,Levy, Christopher J.,Collins, Scott

, p. 1885 - 1892 (2007/10/03)

The aldol condensations of α- and β-(benzyloxy) aldehydes with enol silanes, catalyzed by Cp2Zr(OTf)2THF or Cp2Zr(OTf)2, in a variety of solvents were studied. The simple diastereoselectivity of these reactions is modest and comparable to that observed using simple aldehydes of similar steric requirements. Studies have revealed that TMSOTf is directly produced on reaction with the zirconocene catalyst with the enol silane in nitroalkane solvent or is formed during catalysis in dichloromethane solution. Although TMSOTf is known to catalyze cross-aldol reactions under these conditions, the rate of this process is not always competitive with that observed using the zirconocene catalysts. In particular, sterically unhindered or aromatic aldehydes react via a mechanism that appears to be mainly Zr-catalyzed, based on both the difference in rate between Zr- and Si-mediated reactions as well as differences in enol silane/silyl triflate reactivity in crossover-type experiments. With sterically hindered aldehydes in dichloromethane or nitromethane, catalysis is mediated by Si. The Zr-catalyzed process occurs via formation of a Zr-aldolate complex from aldehyde and enol silane, with liberation of TMSOTf, followed by rate-limiting O-silylation of the metal aldolate by TMSOTf, as revealed by both model studies and in situ monitoring during catalysis.

Stereoelectronic Control of the Tertiary Ketol Rearrangement: Implications for the Mechanism of the Reaction Catalysed by the Enzymes of Branched-chain Amino Acid Metabolism, Reductoisomerase and Acetolactate Decarboxylase

Crout, David H. G.,McIntyre, C. Rupert,Alcock, Nathaniel W.

, p. 53 - 62 (2007/10/02)

The alkali-catalised rearrangement of (R)--3-hydroxy-3-methylpentan-2-one has been studied.Rearrangement via transition state having an anti arrangement of C-O bonds was preferred over that with a syn arrangement by a factor of 1.8:1.The result is of interest in relation to the mechanism of action of the enzymes reductoisomerase and acetolactate decarboxylase, both of which are involved in the metabolism of the branched-chain amino acids.The structure and relative configuration of the product 23 of bromolactonisation of N-methacryloyl L-proline 22 were determined by X-ray crystallographic analysis.

Mass Spectrometry of 2-Alkylthio-2-methylpropanoic Acids and Their Esters and Amides. Structural and Steric Effects on the McLafferty Rearrangement

Mori, Yuji,Fujiwara, Shigeru,Miyachi, Toshiko,Kitanishi, Hiroyuki,Oya, Masayuki,et al.

, p. 1505 - 1517 (2007/10/02)

The electron ionization mass spectra (MS) of S-methylated derivatives of N-(2-mercapto-2-methylpropanoyl)-L-cysteine and 2-alkylthio-2-methylpropanoic acids, as well as their esters and amides, were examined.Use of the deuterium labeling technique and accurate mass measurement supported the proposed fragmentation pathways.Extensive loss of CH2S from a molecular ion by the McLafferty rearrangementof a primary hydrogen is important in the MS of S-methyl compounds of amide derivatives.It was demonstrated that the intensity of the rearrangement ion decreases in the order of amide, ester, and acid, and in the case if amides the reaarangement is suppressed by the nonbonded interaction between methyl groups on the α carbon and the amide nitrogen.Keywords-N-(2-mercapto-2-methylpropanoyl)-L-cysteine; 2-alkylthio-2-methylpropanoic acid and methyl ester; 2-alkylthio-2-methylpropanamide; electron impact mass spectrometry; McLafferty rearrangement; steric interaction

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