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(4S,4aR,5S,5aR,6R,12aS)-4-(Dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide hydrate (1:1)(CAS: 17086-28-1)

(4S,4aR,5S,5aR,6R,12aS)-4-(Dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide hydrate (1:1)
CAS Number

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Basic Information

Molecular Formula
C22H26N2O9
Molecular Weight
462.46 g/mol

Physical Properties

Melting Point
174-181°C
Water Solubility
Soluble in ethanol or methanol. Sparingly soluble in water.Soluble in dilute acids, alkali hydroxides and dimethyl sulfoxide.

Chemical Identifiers

SMILES
CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.O
InChIKey
XQTWDDCIUJNLTR-CVHRZJFOSA-N

Database References

MDL Number
MFCD02682958

FAQ

This compound is a hydrate with a molecular weight of approximately 700 g/mol. It crystallizes as a hydrate with a 1:1 ratio. The compound has low solubility in water but is soluble in organic solvents such as ethanol and methanol. It is moderately reactive with nucleophiles and can undergo hydrolysis. It is known for its stability under normal conditions but should be stored in a dry environment to prevent degradation.
This compound is synthesized through a multi-step process involving condensation reactions, ring closures, and hydrolysis. Commonly, it is synthesized using tetracene as the starting material, with dimethylamine and various organometallic reagents. The exact synthesis route can vary, but it typically involves protecting groups and careful control of reaction conditions to achieve the desired selectivity and yield.
This compound is used in the pharmaceutical industry for its potential as a molecular probe, in polymer science for the synthesis of novel materials, in sensor technology for detecting specific chemical compounds, and in semiconductor manufacturing for the preparation of organic semiconductors. Its unique chemical structure makes it valuable in these applications.
When handling this compound, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be immediately contained and cleaned up using appropriate absorbent materials. It is recommended to refer to the safety data sheet (SDS) for specific handling and disposal guidelines. This compound is not considered hazardous, but proper laboratory practices should always be followed.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

Contact Person

Fang Rui

Email

wangkang@jskchem.com

Mobile

15221441005

Telephone

15221441005

Address

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