697801-52-8

Basic information

• Product Name: 2H-3,1-Benzoxazin-2-one,1,4-dihydro-5-methoxy-4,4-dimethyl-(9CI)
• Synonyms: 2H-3,1-Benzoxazin-2-one,1,4-dihydro-5-methoxy-4,4-dimethyl-(9CI);5-Methoxy-4,4-dimethyl-1H-benzo[d][1,3]oxazin-2(4H)-one
• CAS NO: 697801-52-8
• Molecular Formula: C₁₁H₁₃NO₃
• Molecular Weight: 207.22582
• Product Categories: N-BOC
• Mol File: 697801-52-8.mol

Chemical Properties

• Appearance: /
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 2H-3,1-Benzoxazin-2-one,1,4-dihydro-5-methoxy-4,4-dimethyl-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 2H-3,1-Benzoxazin-2-one,1,4-dihydro-5-methoxy-4,4-dimethyl-(9CI)(697801-52-8)
• EPA Substance Registry System: 2H-3,1-Benzoxazin-2-one,1,4-dihydro-5-methoxy-4,4-dimethyl-(9CI)(697801-52-8)

Safety Data

• Hazardous Substances Data: 697801-52-8(Hazardous Substances Data)

Usage

Main properties

1. Chemical formula: C11H13NO3
2. Derivative of benzoxazinone
3. Heterocyclic compound
4. Contains a methoxy and two methyl groups

Specific content

Used in pharmaceutical and research applications
Potential pharmacological properties as an antimicrobial agent and potential anti-inflammatory activity
Potential as a natural product for crop protection against pests and diseases

Upstream product

• 4837-88-1 6-methoxy-2-nitrotoluene 
• 5460-31-1 3-nitro-o-cresol 
• 1380698-91-8 2-[2-amino-6-(methyloxy)phenyl]-2-propanol 
• 530-62-1 1,1'-carbonyldiimidazole 
• 54166-96-0 methyl 2-amino-6-methoxybenzoate 
• 77901-52-1 methyl 2-methoxy-6-nitrobenzoate 
• 53967-73-0 2-nitro-6-methoxybenzoic acid 

Downstream Products

• 697801-53-9 5-hydroxy-4,4-dimethyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one 

Relevant articles and documents

Aryl Substituted Benzimidazolones as Potent HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors

Since the discovery of HIV as the etiological agent of AIDS, the virus has infected millions of people each year. Fortunately, with the use of HAART, viremia can be suppressed to below detectable levels in the infected individuals, which significantly improves their quality of life and prevents the onset of AIDS. However, HAART is not curative and issues relating to adherence and drug resistance may lead to the re-emergence of viremia, the development of AIDS, and ultimately death. To address a pressing need for the development of new and efficacious antiretroviral agents with activity against viruses bearing prevalent resistant mutations, we have designed two generations of benzimidazolone derivatives as HIV non-nucleoside reverse transcriptase inhibitors. The first generation benzimidazolone inhibitors were found to be potent inhibitors of wild-type HIV reverse transcriptase but were ineffective in the presence of common resistance mutations such as K103N and Y181C. A second generation benzimidazolone inhibitor (compound 42) not only showed inhibitory activity against wild-type HIV but also remained active against HIV containing the K103N, Y181C, and K103N/Y181C drug resistance mutations.

Non-nucleoside reverse transcriptase inhibitors

Compounds represented by formula I: wherein R1 is H, halogen, (C1-4)alkyl, O(C1-4)alkyl, and haloalkyl; R2 is H or (C1-4)alkyl; R3 is H or (C1-4)alkyl; R4 is (C1-4)alkyl, (C1-4)alkyl(C3-7)cycloalkyl, or (C3-7)cycloalkyl; and Q is a fused phenyl-5 or 6-membered saturated heterocycle having one to two heteroatoms selected from O and N, said Q being optionally substituted with hydroxy, or (C1-4)alkyl which in turn maybe optionally substituted with pyridinyl-N-oxide or C(O)OR wherein R is H or (C1-4)alkyl; or a salt thereof. The compounds have inhibitory activity against Wild Type, and single and double mutants strains, of HIV.