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3-(Cyanomethyl)benzoic Acid, a chemical compound with the formula C8H5NO2, is an organic compound that features a benzoic acid structure with a cyanomethyl group attached to the third carbon. It is known for its role in the synthesis of various pharmaceutically important compounds due to its unique chemical properties.

5689-33-8

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5689-33-8 Usage

Uses

Used in Pharmaceutical Synthesis:
3-(Cyanomethyl)benzoic Acid is used as a reagent for the synthesis of various pharmaceutically important compounds. Its application in the pharmaceutical industry is primarily due to its ability to contribute to the development of new drugs with potential therapeutic benefits.
Used in the Synthesis of Neprilysin Inhibitors:
Specifically, 3-(Cyanomethyl)benzoic Acid is utilized in the synthesis of neprilysin inhibitors. Neprilysin is an enzyme that breaks down certain neurotransmitters and peptides in the body. Inhibiting this enzyme can have therapeutic effects in treating conditions such as Alzheimer's disease, where maintaining the levels of certain neurotransmitters is crucial for managing the symptoms.

Check Digit Verification of cas no

The CAS Registry Mumber 5689-33-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,6,8 and 9 respectively; the second part has 2 digits, 3 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 5689-33:
(6*5)+(5*6)+(4*8)+(3*9)+(2*3)+(1*3)=128
128 % 10 = 8
So 5689-33-8 is a valid CAS Registry Number.
InChI:InChI=1/C9H7NO2/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6H,4H2,(H,11,12)

5689-33-8SDS

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 3-(Cyanomethyl)Benzoic Acid

1.2 Other means of identification

Product number -
Other names 3-(CYANOMETHYL)BENZOIC ACID

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:5689-33-8 SDS

5689-33-8Relevant academic research and scientific papers

Ligand-Free Palladium-Catalyzed Hydroxycarbonylation of Aryl Halides under Ambient Conditions: Synthesis of Aromatic Carboxylic Acids and Aromatic Esters

Han, Wei,Jin, Fengli,Zhou, Qing

, p. 1861 - 1868 (2015/06/30)

Aryl halides were readily converted into their corresponding aromatic carboxylic acids in high yields with high selectivity by ligand-free palladium-catalyzed hydroxycarbonylation at room temperature and atmospheric pressure. The new method is operationally simple and scalable. In addition, aromatic esters were easily synthesized through one-pot hydroxycarbonylation/alkylation with alkyl halides.

SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS

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Page/Page column 180-181, (2010/12/26)

The present invention provides a compound of formula (I') or a pharmaceutically acceptable salt thereof, wherein R1, R2, R3, X and n are defined herein. The invention also relates to a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

USE OF DERIVATIVES OF 2, 4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONE AS INHIBITORS O FTEH ENZYME MYELOPEROXIDASE (MPO)

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Page 80, (2010/02/09)

There is disclosed the use of a compound of formula (I) wherein X, Y, W and Q are as defined in the specification, and pharmaceutically acceptable salts thereof, in the manufacture of a medicament, for the treatment or prophylaxis of diseases or conditions in which inhibition of the enzyme myeloperoxidase (MPO) is beneficial. Certain novel compounds of formula (I) and pharmaceutically acceptable salts thereof are disclosed, together with processes for their preparation. The compounds of formulae (I) are MPO inhibitors and are thereby particularly useful in the treatment or prophylaxis of neuroinflammatory disorders.

2,3,4-trinor-1,5-inter-meta-phenylene-prostacyclin compounds useful in inhibiting thrombocyte aggregation

-

, (2008/06/13)

The invention relates to new 2,3,4-trinor-1,5-inter-m-phenylene-PGI2 derivatives of the formula (I) STR1 wherein A stands for carboxy, cyano, tetrazolyl or --COOR3 or --CONR1 R2 ; R3 is C1-4 alkyl or an equivalent of a pharmacologically acceptable cation: R1 and R2 each stands for hydrogen, phenyl; C1-5 alkyl, optionally substituted by carboxy, hydroxy, phenyl or C2-5 alkoxycarbonyl; or C1-4 alkylsulfonyl; or R1 and R2 together form an α,ω-alkylene chain containing 3-6 carbon atoms; B stands for oxygen or methylene; Y is optionally bromo-substituted vinylene or a --C C-- group: R4 stands for hydrogen or tetrahydro-pyran-2-yl; R5 represents an alkyl group containing 5-9 carbon atoms, which can be optionally interrupted by one or more oxygen atom(s) or --CH=CH-- or --C C-- group(s) and/or optionally substituted by halogen; or a phenyoxymethyl group optionally substituted by halogen or trifluoromethyl; or an alkenoyloxymethyl group containing 3-5 carbon atoms; R6 is hydrogen or C1-4 alkyl; R7 stands for hydrogen, halogen, cyano, C1-4 alkyl or C1-4 alkoxy; R8 is hydrogen, halogen, cyano, nitro, hydroxy or C2-5 alkanoylamido; with the proviso that if R5 stands for an alkyl group containing 5-9 carbon atoms which is unsubstituted or not interrupted by an oxygen atom or a --CH=CH-- or --C C-- group; or a phenyoxymethyl group optionally substituted by halogen or trifluoromethyl, then either R7 or R8 is other than hydrogen, or A is other than carboxy or --COOR3 and a process for the preparation thereof. The new compounds of the Formula I exhibit prolonged cytoprotecting and aggregation inhibiting and a low hypotensive effect and are superior to prostacycline in the prolonged duration of their activity.

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