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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-7-nitro-

O=C1Nc2ccc(cc2OC1(C)C)[N+](=O)[O-] Request for Quotation
Chemical Name: 2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-7-nitro-
CAS Number: 85160-83-4
Product Number: AG00G7II(AGN-PC-0NKB4T)
Synonyms:
MDL No:
Molecular Formula: C10H10N2O4
Molecular Weight: 222.1974

Identification/Properties

Computed Properties
Molecular Weight:
222.2g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
222.064g/mol
Monoisotopic Mass:
222.064g/mol
Topological Polar Surface Area:
84.2A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
323
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


2,2-Dimethyl-7-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one is a versatile compound widely used in chemical synthesis due to its unique properties and reactivity. It serves as a key building block in various organic reactions, particularly in the formation of complex heterocyclic structures.In organic synthesis, 2,2-Dimethyl-7-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one is commonly employed as a precursor for the synthesis of biologically active compounds and pharmaceutical intermediates. Its nitro group can undergo reduction reactions to yield primary amines, which are valuable functional groups in drug development and material science.Additionally, the oxazinone moiety in this compound provides a versatile synthetic handle for further modifications, enabling chemists to introduce diverse functional groups and stereochemical elements into the target molecules. Its 2,2-dimethyl substitution pattern enhances the compound's stability and influences its regioselectivity in various reactions.By leveraging the unique structure and reactivity of 2,2-Dimethyl-7-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one, chemists can access a wide array of structurally diverse and complex organic molecules with potential applications in medicinal chemistry, agrochemicals, and materials science.