7569-58-6

Basic information

• Product Name: 3-CHLORO-4-METHOXYBENZENEACETONITRILE
• Synonyms: 3-CHLORO-4-METHOXYBENZENEACETONITRILE;3-Chloro-4-methoxyphenylacetonitrile
• CAS NO: 7569-58-6
• Molecular Formula: C₉H₈ClNO
• Molecular Weight: 181.62
• Product Categories: pharmacetical
• Mol File: 7569-58-6.mol

Chemical Properties

• Boiling Point: 298 °C at 760 mmHg
• Flash Point: 134 °C
• Appearance: /
• Density: 1.198 g/cm³
• Vapor Pressure: 0.00131mmHg at 25°C
• Refractive Index: 1.536
• CAS DataBase Reference: 3-CHLORO-4-METHOXYBENZENEACETONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CHLORO-4-METHOXYBENZENEACETONITRILE(7569-58-6)
• EPA Substance Registry System: 3-CHLORO-4-METHOXYBENZENEACETONITRILE(7569-58-6)

Safety Data

• Hazardous Substances Data: 7569-58-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-Chloro-4-methoxybenzeneacetonitrile is used as a key intermediate in the synthesis of various pharmaceuticals. Its unique chemical structure allows for the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical industry, 3-chloro-4-methoxybenzeneacetonitrile is utilized as an intermediate for the production of agrochemicals, such as pesticides and herbicides. Its chemical properties contribute to the effectiveness of these products in controlling pests and weeds.
Used in Dye and Pigment Production:
3-Chloro-4-methoxybenzeneacetonitrile is used as a starting material in the production of dyes and pigments. Its ability to form various chemical compounds makes it suitable for creating a wide range of colors and shades used in different industries, such as textiles, plastics, and printing inks.
Used in Organic Chemistry Research:
Due to its high purity and stability, 3-chloro-4-methoxybenzeneacetonitrile is a popular choice for use in organic chemistry research. It serves as a valuable compound for studying various chemical reactions and exploring new synthetic pathways.

InChI:InChI=1/C9H8ClNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3

Upstream product

• 13719-57-8 3-chloro-4-methoxybenzyl chloride 
• 151-50-8 potassium cyanide 
• 143-33-9 sodium cyanide 
• 104-47-2 p-methoxybenzylnitrile 
• 4903-09-7 3-chloro-4-methoxy-benzaldehyde 
• 14503-45-8 3-chloro-4-methoxybenzyl alcohol 
• 766-51-8 2-Chloroanisole 
• 320407-92-9 4-(bromomethyl)-2-chloro-1-methoxybenzene 
• 38622-91-2 [(p-methylphenyl)sulfonylmethyl]isonitrile 

Downstream Products

• 13721-20-5 2-(3-chloro-4-methoxyphenyl)acetic acid 
• 57017-95-5 methyl 3-chloro-4-hydroxyphenylacetate 
• 7569-87-1 3-chloro-4-methoxyphenethylamine 
• 94100-10-4 5-chloro-3-(3-chloro-4-methoxyphenyl)-2,1-benzisoxazole 
• 115802-90-9 5-chloro-3-(3-chloro-4-methoxyphenyl)-3-hydroxyindole-2(3H)-one 
• 115764-93-7 2-(2-chloro-5-(hydroxyimino)-1,3-cyclohexadien-6-ylidene)-1,2-bis(3-chloro-4-methoxyphenyl)ethan-1-one 
• 115764-94-8 3-chloro-7-(3-chloro-4-methoxybenzoyl)-2-methoxyacridine-9-carbonitrile N-oxide 
• 33697-81-3 (3-chloro-4-hydroxy-phenyl)-acetic acid 
• 6496-89-5 2,4-dimethoxyphenylacetic acid 
• 20503-09-7 2-(2-hydroxy-4-methoxyphenyl)acetic acid 
• 59557-17-4 ethyl 3-chloro-4-methoxyphenylmethylimidate 
• 1027974-82-8 6-chloro-1-(2-isopropyl-phenyl)-7-methoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline 
• 1026845-53-3 6-chloro-1-(2-isopropyl-phenyl)-7-methoxy-3,4-dihydro-isoquinoline 
• 1027934-75-3 6-chloro-1-(2-isopropyl-phenyl)-7-methoxy-1,2,3,4-tetrahydro-isoquinoline 

Relevant articles and documents

Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases

The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES

The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

MODULATORS OF CFTR

Compounds of the present invention, and pharmaceutically acceptable compositions thereof, are useful as modulators of ATP-Binding Cassette ("ABC") transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator ("CFTR"). The present invention also relates to methods of treating CFTR mediated diseases using compounds of the present invention.

Modulators of ATP-binding cassette transporters

Compounds of the present invention and pharmaceutically acceptable compositions thereof, are useful as modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator (“CFTR”). The present invention also relates to methods of treating ABC transporter mediated diseases using compounds of the present invention.

Non-nucleoside reverse transcriptase inhibitors

The present invention provides for compounds useful for treating an HIV-1 infection, or preventing an HIV-1 infection, or treating AIDS or ARC. The compounds of the invention are of formula I wherein R1-R4 and Ar are as herein defined. Also disclosed in t

Cyclopentadienyltricarbonylrheniumbenzazepines: Synthesis and binding affinity

Analogues of the benzazepine dopamine D1 receptor antagonist SCH-23390 incorporating the cyclo-pentadienyltricarbonyl-rhenium (CPTR) moiety were synthesized and evaluated pharmacologically. The CPTR derivatives retained affinity (0.3-2.9 nM) an

Quantitative structure-activity relationship modeling of dopamine D1 antagonists using comparative molecular field analysis, genetic algorithms- partial least-squares, and K nearest neighbor methods

Several quantitative structure-activity relationship (QSAR) methods were applied to 29 chemically diverse D1 dopamine antagonists. In addition to conventional 3D comparative molecular field analysis (CoMFA), cross-validated R2 guided

Synthesis and pharmacological characterization of 1-phenyl-, 4-phenyl-, and 1-benzyl-1,2,3,4-tetrahydroisoquinolines as dopamine receptor ligands

A series of 1-phenyl-, 4-phenyl-, and 1-benzyl-1,2,3,4-tetrahydroisoquinolines have been prepared as ring-contracted analogues of the prototypical D1 dopamine receptor antagonist SCH23390 [(R)-(+)-7-chloro-8-hydroxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3 benzazepine]. The affinity and selectivity of these isoquinolines for D1 receptors was determined by three biochemical endpoints in membrane homogenates prepared from rat corpus striatum: the potency to compete for [3H]SCH23390 binding sites; the potency to compete for [3H]spiperone (a D2 receptor ligand) binding sites; and effects on dopamine-stimulated adenylate cyclase. Competitive binding measurements at D1 sites showed SCH23390 to possess the highest affinity, followed by 1-phenyl > 1-benzyl > 4-phenyl for the isoquinolines. These results were highly correlated with the ability of the test compounds to antagonize dopamine-stimulated adenylate cyclase (r = 0.98). None of the compounds alone stimulated cAMP formation at concentrations of 10 nM to 100 μM. D2 competition binding showed the 1-benzyl derivative to possess the highest affinity, followed by 4-phenyl > SCH23390 > 1-phenyl. The tertiary 1-phenyl derivative was more potent than the secondary 1-phenyl analogue in all assays. Interestingly, resolution and single-crystal X-ray analysis of the tertiary N-methyl-1-phenyltetrahydroisoquinoline showed the most active enantiomer to possess the S absolute configuration, in contrast to the benzazepine (R)-SCH23390.

Antiinflammatory substituted phenylacetic acids

Antiinflammatory substituted phenylacetic acids of low toxicity are prepared by reaction of a salt of an alkyl 3 chloro-4-hydroxyphenylacetate with a substituted benzyl halide in the presence of an inert organic solvent at elevated temperatures.