51114-73-9

Basic information

• Product Name: 5-Nitro-1-tetralone
• Synonyms: 5-Nitro-1-tetralone;5-Nitro-α-tetralone;5-NITRO-A-TETRALONE;3,4-dihydro-5-nitronaphthalen-1(2H)-one;5-nitro-3,4-dihydronaphthalen-1(2H)-one;5-nitro-1,2,3,4-tetrahydronaphthalen-1-one;5-Nitro-3,4-dihydro-2H-naphthalen-1-one;5-Nitro-3,4-dihydronaphthalen-1(2H)
• CAS NO: 51114-73-9
• Molecular Formula: C₁₀H₉NO₃
• Molecular Weight: 191.18336
• Mol File: 51114-73-9.mol

Chemical Properties

• Melting Point: 103-104 °C
• Boiling Point: 349.939 °C at 760 mmHg
• Flash Point: 175.695 °C
• Appearance: /
• Density: 1.322 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.604
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 5-Nitro-1-tetralone(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Nitro-1-tetralone(51114-73-9)
• EPA Substance Registry System: 5-Nitro-1-tetralone(51114-73-9)

Safety Data

• Hazardous Substances Data: 51114-73-9(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Journal of Medicinal Chemistry, 19, p. 472, 1976 DOI: 10.1021/jm00226a004

InChI:InChI=1/C10H9NO3/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1,4-5H,2-3,6H2

Upstream product

• 29809-14-1 5-nitro-1,2,3,4-tetrahydronaphthalene 
• 529-34-0 3,4-dihydronaphthalene-1(2H)-one 
• 7697-37-2 nitric acid 
• 64-19-7 acetic acid 
• 67857-97-0 4-(2-nitrophenyl)-n-butyric acid 
• 630105-96-3 4-(2-nitrophenyl)-n-butyric acid chloride 
• 90915-20-1 4-(2-nitrophenyl)-n-butyronitril 
• 7783-70-2 antimony pentafluoride 
• 930-68-7 cyclohexenone 
• 108030-46-2 (E,E)-1-(N,N-dimethylamino)-4-nitro-1,3-butadiene 

Downstream Products

• 41823-28-3 5-amino-3,4-dihydronaphthalen-1(2H)-one 
• 344765-75-9 4-[1-(1-hydroxy-5-nitro-1,2,3,4-tetrahydronaphthyl)]-1-tritylimidazole 
• 83-55-6 5-amino-1-naphthol 
• 6304-46-7 5-nitro-1-naphthol 
• 26673-30-3 5-chloro-3,4-dihydro-1(2H)-naphthalenone 
• 725233-11-4 ethanesulfonic acid [5-hydroxy-5-(1-trityl-1H-imidazol-4-yl)-5,6,7,8-tetrahydro-naphthalen-1-yl]-amide 
• 793682-31-2 5-amino-1-(1-trityl-1H-imidazol-4-yl)-1,2,3,4-tetrahydro-naphthalen-1-ol 

Relevant articles and documents

NAPTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF

Provided herein are naphthoquinones compounds such as those with a hydrogen bond donating group of the formula (I): wherein: R1, R2, R3, R4, R5, and n are as defined herein. Also provided herein are pharmaceutical composition of the present compounds and methods of treatment using the compounds including their use in the treatment of cancer.

THERAPEUTIC COMPOUNDS

The invention provides compounds of formula (I): wherein, A, C, D, X, and Y have any of the values defined in the specification, and salts thereof. The compounds are SIRT2 inhibitors and are useful for treating SIRT2 associated conditions.

Tricyclic [1,2,4]triazine 1,4-dioxides as hypoxia selective cytotoxins

A series of novel tricyclic triazine-di-N-oxides (TTOs) related to tirapazamine have been designed and prepared. A wide range of structural arrangements with cycloalkyl, oxygen-, and nitrogen-containing saturated rings fused to the triazine core, coupled with various side chains linked to either hemisphere, resulted in TTO analogues that displayed hypoxia-selective cytotoxicity in vitro. Optimal rates of hypoxic metabolism and tissue diffusion coefficients were achieved with fused cycloalkyl rings in combination with both the 3-aminoalkyl or 3-alkyl substituents linked to weakly basic soluble amines. The selection was further refined using pharmacokinetic/pharmacodynamic model predictions of the in vivo hypoxic potency (AUCreq) and selectivity (HCD) with 12 TTO analogues predicted to be active in vivo, subject to the achievement of adequate plasma pharmacokinetics.

TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS

The invention relates to novel tricyclic 1,2,4-triazine-1-oxides and novel tricyclic 1,2,4-triazine-1,4-dioxides of formula: (I); and to related analogues, to their preparation, and to their use as hypoxia-selective drugs and radiosensitizers for cancer therapy, both alone or in combination with radiation and/or other anticancer drugs.

Process for the preparation of 5-nitro-3,4-dihydro-1(2H)-naphthalenone, 1,5-naphthalendiamine and 1,5-naphthalendiisocyanate

A process for the production of 1,5-naphthalene diamine (I) comprises reaction of 4-(2-nitrophenyl)-n-butyronitrile to 4-(2-nitrophenyl)-n-butyric acid. Independent claims are included for: (1) a process for the production of 5-nitro-3,4-dihydro-1(2H)-naphthalinone by reaction of 4-(2-nitrophenyl)-n-butyronitrile to 4-(2-nitrophenyl)-n-butyric acid and; (2) a process for the production of 1,5-naphthalene diisocyanate by phosgenation of 1,5-naphthalene diamine (I).

Process for preparation of 1,5-diaminonaphthalenes

In a process where an ortho-alkylnitrobenzene derivative and a vinyl compound as starting materials are used to prepare a 1,5-diaminonaphthalene derivative via a 4-(2-nitrobenzene)propane derivative and a 5-nitro-1-tetralone derivative, the ortho-alkylnit

Process for the production of 1,5-naphthalenediamine

The invention relates to a process for the production of 1,5-naphthalenediamine and to the intermediates 4-(2-nitrophenyl)butyronitrile, 5-nitro-3,4-dihydro-1(2H)-naphthyl-imine, 5-nitroso-1-naphthylamine, 5-nitro-1-naphthylamine, 4-(2-aminophenyl)-butyronitrile, 5-amino-3,4-dihydro-1(2H)-naphthalene imine, 4-(2-nitrophenyl)ethyl butyrate and 4-(2-nitrophenyl)butyramide obtainable during the process.

4-(5-isothiocyanato-1,2,3,4-tetrahydro-1-naphthyl)-1H-imidazole: An imidazole-type affinity label for the α1-adrenergic receptor

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