478965-00-3

Basic information

• Product Name: (4-Isopropylphenyl)(2-nitro-5-(prop-2-ynyloxy)phenyl)methanone
• Synonyms: (4-Isopropylphenyl)(2-nitro-5-(prop-2-ynyloxy)phenyl)methanone;(4-Isopropylphenyl)(2-nitro-5-(prop-2-yn-1-yloxy)phenyl)Methanone;(4-Isopropylphenyl)(2-nitro-5-(propargyloxy)phenyl)methanone
• CAS NO: 478965-00-3
• Molecular Formula: C₁₉H₁₇NO₄
• Molecular Weight: 323.34258
• Mol File: 478965-00-3.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 491.4±45.0 °C(Predicted)
• Appearance: /
• Density: 1.196±0.06 g/cm3(Predicted)
• Refractive Index: 1.585
• Storage Temp.: 2-8°C
• CAS DataBase Reference: (4-Isopropylphenyl)(2-nitro-5-(prop-2-ynyloxy)phenyl)methanone(CAS DataBase Reference)
• NIST Chemistry Reference: (4-Isopropylphenyl)(2-nitro-5-(prop-2-ynyloxy)phenyl)methanone(478965-00-3)
• EPA Substance Registry System: (4-Isopropylphenyl)(2-nitro-5-(prop-2-ynyloxy)phenyl)methanone(478965-00-3)

Safety Data

• Hazardous Substances Data: 478965-00-3(Hazardous Substances Data)

Usage

Description

(4-isopropylphenyl)(2-nitro-5-(prop-2-ynyloxy)phenyl)methanone is a complex organic compound featuring a phenylmethanone core with isopropyl, nitro, and prop-2-ynyloxy groups attached. It is a yellow crystalline solid that holds significance in the field of organic chemistry due to its unique structure and potential applications.

Uses

Used in Organic Synthesis:
(4-isopropylphenyl)(2-nitro-5-(prop-2-ynyloxy)phenyl)methanone is used as a building block for the production of pharmaceuticals, agrochemicals, and other fine chemicals. Its unique structure and functional group compatibility make it a versatile intermediate in the development of diverse chemical compounds.
Used in Chemical Research:
In the field of chemical research, (4-isopropylphenyl)(2-nitro-5-(prop-2-ynyloxy)phenyl)methanone serves as an important compound for studying its reactivity and exploring its potential in creating new chemical entities with various applications across different industries.

InChI:InChI=1/C19H17NO4/c1-4-11-24-16-9-10-18(20(22)23)17(12-16)19(21)15-7-5-14(6-8-15)13(2)3/h1,5-10,12-13H,11H2,2-3H3

Upstream product

• 478964-98-6 (4-isopropylphenyl)-(2-nitro-5-propargyloxy-phenyl)methanol 

Downstream Products

• 478964-94-2 (2-amino-5-propargyloxy-phenyl)-(4-isopropylphenyl)methanone 

Relevant articles and documents

L-Alkyl-4-phenyl-6-alkoxy-1H-quinazolin-2-ones: A novel series of potent calcium-sensing receptor antagonists

Parathyroid hormone (PTH) is an effective bone anabolic agent. However, only when administered by daily sc injections exposure of short duration is achieved, a prerequisite for an anabolic response. Instead of applying exogenous PTH, mobilization of endogenous stores of the hormone can be envisaged. The secretion of PTH stored in the parathyroid glands is mediated by a calcium sensing receptor (CaSR) a GPCR localized at the cell surface. Antagonists of CaSR (calcilytics) mimic a state of hypocalcaemia and stimulate PTH release to the bloodstream. Screening of the internal compound collection for inhibition of CaSR signaling function afforded 2a. In vitro potency could be improved > 1000 fold by optimization of its chemical structure. The binding mode of our compounds was predicted based on molecular modeling and confirmed by testing with mutated receptors. While the compounds readily induced PTH release after iv application a special formulation was needed for oral activity. The required profile was achieved by using microemulsions. Excellent PK/PD correlation was found in rats and dogs. High levels of PTH were reached in plasma within minutes which reverted to baseline in about 1-2 h in both species.