405939-73-3

Basic information

• Product Name: 1-(3-chloropropyl)-1H-pyrazole
• Synonyms: 1-(3-chloropropyl)-1H-pyrazole;UKRORGSYN-BB BBV-022339;1-(3-chloropropyl)-1H-pyrazole(SALTDATA: HCl);1-(3-Chloropropyl)
• CAS NO: 405939-73-3
• Molecular Formula: C₆H₉ClN₂
• Molecular Weight: 144.6
• Mol File: 405939-73-3.mol

Chemical Properties

• Boiling Point: 224.164°C at 760 mmHg
• Flash Point: 89.371°C
• Appearance: /
• Density: 1.155g/cm³
• Vapor Pressure: 0.138mmHg at 25°C
• Refractive Index: 1.54
• PKA: 2.12±0.10(Predicted)
• CAS DataBase Reference: 1-(3-chloropropyl)-1H-pyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3-chloropropyl)-1H-pyrazole(405939-73-3)
• EPA Substance Registry System: 1-(3-chloropropyl)-1H-pyrazole(405939-73-3)

Safety Data

• Hazardous Substances Data: 405939-73-3(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
1-(3-chloropropyl)-1H-pyrazole is used as a building block in organic synthesis for the creation of more complex molecules. Its unique structure allows it to be a versatile component in the synthesis of various organic compounds.
Used in Chemical Research:
In the realm of chemical research, 1-(3-chloropropyl)-1H-pyrazole serves as a reagent, aiding scientists in understanding and exploring chemical reactions and mechanisms. Its distinct properties make it a valuable tool for research purposes.
Used in Pharmaceutical Production:
1-(3-chloropropyl)-1H-pyrazole is utilized as an intermediate in the production of pharmaceuticals. Its specific role in the synthesis of certain drugs can contribute to the development of new medications with potential therapeutic benefits.
Used in Agrochemical Production:
Similarly, in the agrochemical industry, 1-(3-chloropropyl)-1H-pyrazole is employed as an intermediate. Its involvement in the synthesis of agrochemicals can lead to the creation of products that enhance agricultural productivity and crop protection.
The specific applications and effectiveness of 1-(3-chloropropyl)-1H-pyrazole may vary depending on factors such as its purity, concentration, and the particular requirements of the intended use.

InChI:InChI=1/C6H9ClN2/c7-3-1-5-9-6-2-4-8-9/h2,4,6H,1,3,5H2

Upstream product

• 288-13-1 NH-pyrazole 
• 142-28-9 1,3-Dichloropropane 
• 109-70-6 1.3-chlorobromopropane 

Relevant articles and documents

The chelating ligand 1,3-bis(pyrazol-1′-yl)propane (Bpp) enforces a tetrahedral geometry in both CuII and CuI species

The ligand 1,3-bis(pyrazol-1′-yl)propane (bpp) has been prepared by reacting 1,3-dichloropropane with two equivalents of pyrazole. After reaction of bpp with copper(II) tetrafluoroborate, three different compounds were obtained, two with CuII and one with CuI as cation, depending on the preparative method. The formation of single crystals of these compounds was only observed when 1-(3-chloropropyl)pyrazole (ppc) was present in the solution. The single-crystal X-ray structures of [Cu(bpp)2](BF4)2 and [Cu(bpp)2](BF4) show that bpp acts as a didentate chelating ligand to form an uncommon eight-atom chelate ring with the copper ion. Two polymorphs of the CuII complex were characterized. In each of them, the metal atoms possess a distorted tetrahedral geometry. In the copper(I) complex the metal center is present in a less-distorted tetrahedral coordination sphere. The spectroscopic properties of the compounds are in agreement with the structural data. Cyclic voltammetry measurements showed a redox wave at 0.92 V vs. Ag/AgCl. Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003.

HETEROARYL-CARBOXAMIDES AS HISTONE DEMETHYLASE INHIBITORS

The invention relates to heteroaryl-carboxamides as described herein, useful as histone demethyiase inhibitors. The invention also relates to pharmaceutical compositions comprising these compounds and to their use in therapy, including e.g., in the treatment of cancer.

HETEROARYL-CARBOXYLIC ACIDS AS HISTONE DEMETHYLASE INHIBITORS

The invention relates to heteroaryl-carboxylic acids as described herein, useful as histone demethylase inhibitors. The invention also relates to pharmaceutical compositions comprising these compounds and to their use in therapy, including e.g., in the treatment of cancer.

2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER

The present invention is directed to compounds of formula (I), and pharmaceutically acceptable salts thereof, their synthesis, and their use as HSP-90 inhibitors.

Synthesis and structure-activity relationships of pyrazine-pyridine biheteroaryls as novel, potent, and selective vascular endothelial growth factor receptor-2 inhibitors

There is much evidence that direct inhibition of the kinase activity of vascular endothelial growth factor receptor-2 (VEGFR-2) will result in the reduction of angiogenesis and the suppression of tumor growth. Palladium-catalyzed C-C bond, C-N bond formation reactions were used to assemble various pyrazine-pyridine biheteroaryls as potent VEGFR-2 inhibitors. Among them, 4-{5-[6-(3-chloro-phenylamino)-pyrazin-2-yl]-pyridin-3-ylamino}-butan-1-ol (39) and N-{5-[6-(3-chloro-phenylamino)-pyrazin-2-yl]-pyridin-3-yl}-N′, N′-dimethyl-ethane-1,2-diamine (41) exhibited the highest kinase selectivity against fibroblast growth factor receptor kinase, platelet-derived growth factor receptor kinase, and glycogen synthase kinase-3. All of these compounds showed good cellular potency to inhibit VEGF-stimulated proliferation of human umbilical vein endothelial cells (HUVEC) but with modest effects on the unstimulated growth of HUVEC. The low inhibition of these compounds to the growth of tumor cell lines, such as HeLa, HCT-116, and A375 further confirms that these VEGFR-2 inhibitors are not cytotoxic agents. The in vivo antitumor activity of 39 and 41 were demonstrated in the A375 human melanoma xenograft nude mice model. Molecular modeling (QSAR analysis) was conducted in an attempt to rationalize the observed structure-activity relationship.