2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one

Basic Information

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CAS Number

69804-59-7

Molecular Formula

C8H7NO4

Molecular Weight

181.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Powder

SMILES

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C1=CC2=C(C=C1O)OC(C(=O)N2)O

InChI

InChI=1S/C8H7NO4/c10-4-1-2-5-6(3-4)13-8(12)7(11)9-5/h1-3,8,10,12H,(H,9,11)

InChIKey

HDRDOKTYPONKPM-UHFFFAOYSA-N

LogP

0.04149999999999987

Topological Polar Surface Area

78.79 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

220

Synonyms & References

English

B2703-429350
2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one
FS-8970
AKOS022184722
2,7-dihydroxy-4H-1,4-benzoxazin-3-one
2,7-dihydroxy-1,4-benzoxazin-3-one
2,7-dihydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one
DTXSID10454217
DHBOA
CHEBI:180374
(R)-2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one
69804-59-7
2,7-Dihydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one
2H-1,4-Benzoxazin-3(4H)-one, 2,7-dihydroxy-
W2723
[ "DHBOA", " 2,7-Dihydroxy-1,4-benzoxazin-3-one" ]

MDL Number

MFCD18450434

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one (CAS: 69804-59-7)?

2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one (CAS: 69804-59-7) is a crystalline compound with a molecular weight of approximately 214.17 g/mol. It is slightly soluble in water and ethanol. Chemically, it is reactive towards nucleophiles and can undergo cyclization and substitution reactions.

How is 2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one (CAS: 69804-59-7) typically synthesized?

2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one can be synthesized via condensation of an appropriate aldehyde with benzene-1,4-dione using a Friedel-Crafts acylation reaction. The reaction is typically catalyzed by an acidic reagent such as aluminum chloride. Yields are generally good, but selectivity can be improved by using appropriate solvents and reaction conditions.

What industries use 2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one (CAS: 69804-59-7)?

2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one (CAS: 69804-59-7) is used in the pharmaceutical industry for the synthesis of bioactive compounds and as a precursor in polymer synthesis. It also finds applications in the development of sensors and semiconductors due to its optical and electronic properties.

What precautions should be taken when handling 2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one (CAS: 69804-59-7)?

When handling 2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one (CAS: 69804-59-7), laboratory workers should wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a cool, dry place away from direct sunlight and ignition sources. Spills should be cleaned up with absorbent materials and disposed of according to local regulations. For detailed safety information, refer to the Material Safety Data Sheet (MSDS/SDS).