154264-95-6

Basic information

• Product Name: 7-BROMO-4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE
• Synonyms: 7-BROMO-4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE;7-Bromo-4-methyl-3,4-dihydro-2h-1,4-benzoxazine, tech;7-Bromo-3,4-dihydro-4-methyl-2H-1,4-benzoxazine;7-Bromo-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazine;7-broMo-4-Methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine;7-Bromo-3,4-dihydro-4-methyl-2H-benzo[b][1,4]oxazine
• CAS NO: 154264-95-6
• Molecular Formula: C₉H₁₀BrNO
• Molecular Weight: 228.09
• Mol File: 154264-95-6.mol
• Article Data: 1

Chemical Properties

• Melting Point: 47 °C
• Boiling Point: 309.187 °C at 760 mmHg
• Flash Point: 140.792 °C
• Appearance: /
• Density: 1.475
• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.579
• Storage Temp.: 2-8°C
• PKA: 5.04±0.20(Predicted)
• CAS DataBase Reference: 7-BROMO-4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE(CAS DataBase Reference)
• NIST Chemistry Reference: 7-BROMO-4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE(154264-95-6)
• EPA Substance Registry System: 7-BROMO-4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE(154264-95-6)

Safety Data

• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g
• Hazardous Substances Data: 154264-95-6(Hazardous Substances Data)

Usage

Description

7-Bromo-4-methyl-3,4-dihydro-2H-1,4-benzoxazine is an organic compound with a unique chemical structure that features a benzoxazine ring fused with a bromo and methyl group. 7-BROMO-4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE is known for its potential applications in the pharmaceutical and chemical industries due to its reactive nature and structural properties.

Uses

Used in Pharmaceutical Industry:
7-Bromo-4-methyl-3,4-dihydro-2H-1,4-benzoxazine is used as a key reactant for the synthesis of a purine-based Hsp90 inhibitor known as (2S)-1-[4-(2-6-Amino-8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-ylethyl)piperidin-1-yl]-2-hydroxypropan-1-one (MPC-3100). This inhibitor plays a crucial role in targeting the heat shock protein 90 (Hsp90), which is often overexpressed in various cancers and is involved in the stabilization of multiple client proteins that contribute to cancer cell survival and proliferation. By inhibiting Hsp90, MPC-3100 can potentially disrupt the cancer cell's ability to grow and divide, making it a valuable compound in the development of anticancer therapies.

InChI:InChI=1/C9H10BrNO/c1-11-4-5-12-9-6-7(10)2-3-8(9)11/h2-3,6H,4-5H2,1H3

Upstream product

• 611-24-5 o-(N-methylamino)phenol 
• 273-53-0 benzoxazole 
• 77901-22-5 4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine 

Downstream Products

• 141103-93-7 4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carbaldehyde 

Relevant articles and documents

SYNTHESIS AND REACTIONS OF 3,4-DIHYDRO-2H-1,4-BENZOXAZINE DERIVATIVES

Several 3,4-dihydro-2H-1,4-benzoxazine derivatives were prepared from commercially available benzoxazoles by use of an efficient two step sequence.Aryl functionalization reactions allowing access to further benzoxazine derivatives are also described.