181073-82-5

Basic information

• Product Name: 4-CYANO-2,6-DIFLUOROBENZOIC ACID
• Synonyms: 4-Cyano-2,6-difluorobenzoicacid
• CAS NO: 181073-82-5
• Molecular Formula: C₈H₃F₂NO₂
• Molecular Weight: 183.11
• Mol File: 181073-82-5.mol

Chemical Properties

• Boiling Point: 303.895 °C at 760 mmHg
• Flash Point: 137.591 °C
• Appearance: /
• Density: 1.518 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.54
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 1.68±0.10(Predicted)
• CAS DataBase Reference: 4-CYANO-2,6-DIFLUOROBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CYANO-2,6-DIFLUOROBENZOIC ACID(181073-82-5)
• EPA Substance Registry System: 4-CYANO-2,6-DIFLUOROBENZOIC ACID(181073-82-5)

Safety Data

• Hazardous Substances Data: 181073-82-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4-Cyano-2,6-difluorobenzoic acid is used as an intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new medicinal compounds. Its unique structure allows for the creation of drugs with specific therapeutic properties, enhancing the range of treatments available for various medical conditions.
Used in Agrochemical Industry:
In the agrochemical industry, 4-Cyano-2,6-difluorobenzoic acid serves as a key intermediate in the production of agrochemicals, such as pesticides and herbicides. Its incorporation into these compounds can improve their effectiveness in controlling pests and weeds, thereby increasing crop yields and ensuring food security.
Used in Organic Chemistry Research:
4-Cyano-2,6-difluorobenzoic acid is utilized as a building block in organic chemistry research for its potential to form new compounds with unique properties. Its structure allows for further functionalization and modification, enabling the exploration of novel chemical reactions and the synthesis of innovative materials with potential applications in various fields.
Used in Fine Chemicals Production:
4-Cyano-2,6-difluorobenzoic acid is employed in the production of fine chemicals, which are high-purity chemicals used in various applications, such as fragrances, flavors, dyes, and specialty chemicals. Its unique properties and reactivity contribute to the development of high-quality fine chemicals with specific characteristics, meeting the demands of various industries.

InChI:InChI=1/C8H3F2NO2/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,(H,12,13)

Upstream product

• 64248-63-1 3,5-difluorobenzonitrile 
• 467442-15-5 3,5-difluoro-4-formylbenzonitrile 
• 124-38-9 carbon dioxide 

Downstream Products

• 1270977-92-8 4-[(4-{3-cyano-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propyl}piperazin-1-yl)carbonyl]-3,5-difluorobenzonitrile 
• 1270977-93-9 4-[(4-{3-cyano-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propyl}piperazin-1-yl)carbonyl]-3,5-difluorobenzonitrile phosphate 
• 1418293-51-2 2,6-difluoro-4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid 
• 1418293-50-1 2,6-difluoro-4-(N'-hydroxycarbamimidoyl)benzoic acid 
• 1418293-07-8 (R)-N-(1-(dimethylamino)propan-2-yl)-2,6-difluoro-4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzamide 
• 1355664-52-6 4-cyano-2,6-difluorobenzoyl chloride 
• 622847-30-7 4-(tert-butoxycarbonylaminomethyl)-2,6-difluorobenzoic acid 
• 1329166-87-1 4-aminomethyl-2,6-difluorobenzoic acid 
• 267242-12-6 {6-[4-(tert-Butoxycarbonylamino-imino-methyl)-2,6-difluoro-benzoylamino]-1-oxo-1,2,3,4-tetrahydro-naphthalen-2-yl}-acetic acid ethyl ester 
• 267242-16-0 [6-(4-carbamimidoyl-2,6-difluoro-benzoylamino)-1-oxo-1,2,3,4-tetrahydro-naphthalen-2-yl]-acetic acid ethyl ester 
• 181073-83-6 [6-(4-cyano-2,6-difluoro-benzoylamino)-1-oxo-1,2,3,4-tetrahydro-naphthalen-2-yl]-acetic acid ethyl ester 

Relevant articles and documents

THIAZOLE DERIVATIVES FOR THE TREATMENT OF ANIMAL TRYPANOSOMIASIS

The present invention relates to a novel class of compounds of general formula (I) wherein R1, R2, R3, R4, R5, R6, R7, X and Y are as defined herein, to their use in human and veterinary medicine, and in the treatment of animal trypanosomiasis in particular, to compositions containing them, to processes for their preparation and to intermediates used in such processes.

HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS

The present invention provides a heterocyclic compound of formula (I), a pharmaceutically acceptable salt thereof, a prodrug thereof or a hydrate thereof, wherein A, A′ B, D, R1, R2 and R3 are as defined herein, a pharmaceutical composition comprising a compound of formula (I) as an active ingredient, methods of production, and methods of use thereof. Particularly, the present invention provides a compound of formula (I) useful for treating or preventing a disease, condition or disorder associated with protein kinases, preferably Janus Kinase family.

NOVEL TRIFLUOROMETHYL-OXADIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE

The invention relates to novel trifluoromethyl-oxadiazole derivatives of formula (I), and pharmaceutically acceptable salts thereof, (I) in which all of the variables are as defined in the specification, pharmaceutical compositions thereof, pharmaceutical combinations thereof, and their use as medicaments, particularly for the treatment of neurodegeneration, muscle atrophy or metabolic syndrome via inhibition of HDAC4.

HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS

The present invention provides a heterocyclic compound of formula (I), a pharmaceutically acceptable salt thereof, a prodrug thereof or a hydrate thereof, wherein A, A' B, D, R1, R2 and R3 are as defined herein, a pharmaceutical composition comprising a compound of formula (I) as an active ingredient, methods of production, and methods of use thereof. Particularly, the present invention provides a compound of formula (I) useful for treating or preventing a disease, condition or disorder associated with protein kinases, preferably Janus Kinase family.

HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-D]PYRIMIDINES AS JANUS KINASE INHIBITORS

The present invention provides heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3 djpyrimidines of Formula Ia or a pharmaceutically acceptable salt thereof; wherein: A is H, C1-6 alkyl, C2-6 alkenyl, C2-6 alkynyl, C3-I4 cycloalkyl, C2-13 heterocycloalkyl, C6-14 aryl, C1-14 heteroaryl, C3-14 cycloalkyl-C1-4 alkyl, C2-13 heterocycloalkyl-C1-4 alkyl, C6-14 aryl-C1-4 alkyl, or C14 heteroaryl-C14 alkyl, wherein said C1-6 alkyl, C2-6 alkenyl, C2-6 alkynyl, C3-14 cycloalkyl, C2-13 heterocycloalkyl, C6-14 aryl, C1-14 heteroaryl, C3-14 cycloalkyl-C1-4 alkyl, C2-13 heterocycloalkyl-C1-4 alkyl, C6-14 aryl-C1-4 alkyl, and C1-14 heteroaryl-C1-4 alkyl are each optionally substituted with I, 2, 3, 4, 5, or 6 independently selected R8 substituents; L is absent, C(=O), C(=O)NH, S(=O), or S(O)2; X is CH or N; Y is H, cyano, halo, C1-4 alkyl, or C1-4 haloalkyl; Z is CR7 or N; R1, R2, and R3 are each independently H, hydroxyl, halo, C1-3 alkyl, or C1-3 haloalkyl; R4 and R5 are each independently H, C1-3 alkyl, or C1-3 haloalkyl; or R4 and R5 together with the carbon atom to which they are attached can form a 3-, 4-, 5-, 6- υr 7-membered cycloalkyl ring; as well as their compositions and methods of use, that modulate the activity of Janus kinases (JAKs) and are useful in the treatment of diseases related to the activity of JAKs including, for example inflammatory disorders, autoimmune disorders, cancer, and other diseases.

MACROCYCLES AS FACTOR XIA INHIBITORS

The present invention provides compounds of Formula (I): or a stereoisomer, a tautomer, or a pharmaceutically acceptable salt thereof, wherein all the variables are as defined herein. These compounds are selective Factor XIa inhibitors or dual inhibitors of fXIa and plasma kallikrein. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating thromboembolic and/or inflammatory disorders using the same.

Fused bicyclic Gly-Asp β-turn mimics with potent affinity for GPIIb-IIIa. Exploration of the arginine isostere

6-[4-Amidinobenzoyl]amino]-tetralone-2-acetic acid is a potent antagonist of GPIIb-IIIa. Substitution in the meta position of the benzamidine, or replacement with a heteroaryl amidine was tolerated in this series. Use of an acyl-linked 4-alkyl piperidine