16081-45-1

Basic information

• Product Name: 5-Amino-1,4-benzodioxane
• Synonyms: 2,3-ETHYLENEDIOXYANILINE;5-AMINO-1,4-BENZODIOXANE;5-AMINO-1,4-BENZODIOXANE HYDROCHLORIDE;2,3-Dihydro-1,4-benzodioxin-5-amine;2,3-Dihydro-1,4-benzodioxin-5-amine hydrochloride;2,3-Dihydro-benzo[1,4]dioxin-5-ylamine;2,3-dihydrobenzo[b][1,4]dioxin-5-amine;1,4-Benzodioxan-5-amine, 95%
• CAS NO: 16081-45-1
• Molecular Formula: C₈H₉NO₂
• Molecular Weight: 151.16
• Product Categories: Amines;Benzomorpholines & Benzothiomorpholines;Anilines, Amides & Amines;Miscellaneous Compounds;Benzomorpholines & Benzothiomorpholines
• Mol File: 16081-45-1.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 276.282 °C at 760 mmHg
• Flash Point: 131.123 °C
• Appearance: Yellow to amber/Spherical Beads
• Density: 1.253 g/cm³
• Vapor Pressure: 0.005mmHg at 25°C
• Refractive Index: 1.6
• PKA: 4.06±0.20(Predicted)
• CAS DataBase Reference: 5-Amino-1,4-benzodioxane(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Amino-1,4-benzodioxane(16081-45-1)
• EPA Substance Registry System: 5-Amino-1,4-benzodioxane(16081-45-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26
• Hazardous Substances Data: 16081-45-1(Hazardous Substances Data)

Usage

Uses

5-Amino-1,4-benzodioxane has been as a reactant in the preparation of aminoquinoline and pyrazolopyrimidine hybrids as potent antimalarial agents.

InChI:InChI=1/C8H9NO2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3H,4-5,9H2

Upstream product

• 1116136-19-6 t-butyl (2,3-dihydrobenzo[b][1,4]dioxin-5-yl)carbamate 
• 6665-98-1 3-nitrobenzene-1,2-diol 
• 120-80-9 benzene-1,2-diol 
• 1155139-88-0 5-isocyanato-2,3-dihydrobenzo[b][1,4]dioxine 
• 4442-53-9 2,3-dihydro-1,4-benzodioxine-5-carboxylic acid 
• 57356-28-2 5-nitro-2,3-dihydro-1,4-benzodioxin 
• 7440-44-0 pyrographite 
• 87-13-8 diethyl 2-ethoxymethylenemalonate 

Downstream Products

• 98224-03-4 eltoprazine 
• 153607-45-5 S 15931 
• 153607-44-4 S 14489 
• 184951-65-3 4-Benzyl-1-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-3,5-dimethyl-piperazine-2,6-dione 

Relevant articles and documents

CONDENSED RING DERIVATIVE, AND PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF

Disclosed are a condensed ring derivative, and a preparation method, an intermediate, a pharmaceutical composition and a use thereof. The condensed ring derivative of the present invention has a significant inhibitive effect on URAT1, which can effectively alleviate or treat hyperuricemia and other related diseases.

2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS

The invention relates to a novel class of 2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3]pyrimidine derivatives as a FAK and/or Pyk2 inhibitor, to a process for their preparation, and to a composition thereof, as well as to use of the compounds for the inhibiting FAK and/or Pyk2 and method for the treatment of a FAK and/ or Pyk2 mediated disorder or disease.

Evaluation of 3-carboxy-4(1H)-quinolones as inhibitors of human protein kinase CK2

Due to the emerging role of protein kinase CK2 as a molecule that participates not only in the development of some cancers but also in viral infections and inflammatory failures, small organic inhibitors of CK2, besides application in scientific research, may have therapeutic significance. In this paper, we present a new class of CK2 inhibitors-3-carboxy-4(1H)-quinolones. This class of inhibitors has been selected via receptor-based virtual screening of the Otava compound library. It was revealed that the most active compounds, 5,6,8-trichloro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (7) (IC 50 = 0.3 μM) and 4-oxo-1,4-dihydrobenzo[h]quinoline-3-carboxylic acid (9) (IC50 = 1 μM), are ATP competitive (Ki values are 0.06 and 0.28 μM, respectively). Evaluation of the inhibitors on seven protein kinases shows considerable selectivity toward CK2. According to theoretical calculations and experimental data, a structural model describing the key features of 3-carboxy-4(1H)-quinolones responsible for tight binding to CK2 active site has been developed.