7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one
- Product Name
- 7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one
- CAS No.
- 321436-06-0
- Chemical Name
- 7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one
- Synonyms
- 7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one;BUTTPARK 120;BUTTPARK 120\07-73;7-Bromo-4H-1,4-benzoxazin-3-one;7-BroMo-4H-benzo[1,4]oxazin-3-one;7-BROMO-2H-1,4-BENZOXAZIN-3(4H)-ONE;7-Bromo-2H-benzo[b][1,4]oxazin-3(4H);2H-1,4-Benzoxazin-3(4H)-one, 7-bromo-;-broMo-2H-benzo[b][1,4]oxazin-3(4H)-one;7-broMo-3,4-dihydro-2H-1,4-benzoxazin-3-one
- CBNumber
- CB2681195
- Molecular Formula
- C8H6BrNO2
- Formula Weight
- 228.04
- MOL File
- 321436-06-0.mol
7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one Property
- Boiling point:
- 381.5±42.0 °C(Predicted)
- Density
- 1.676
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 11.76±0.20(Predicted)
- Appearance
- Light brown to brown Solid
- InChI
- InChI=1S/C8H6BrNO2/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11)
- InChIKey
- ZAXUQDMKVBOVCR-UHFFFAOYSA-N
- SMILES
- O1C2=CC(Br)=CC=C2NC(=O)C1
Safety
- HS Code
- 2934999090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- B680433
- Product name
- 7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one
- Packaging
- 1g
- Price
- $75
- Updated
- 2021/12/16
- Product number
- FB156376
- Product name
- 7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one
- Packaging
- 250mg
- Price
- $50
- Updated
- 2021/12/16
- Product number
- J99391
- Product name
- 7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one
- Packaging
- 1g
- Price
- $55
- Updated
- 2021/12/16
- Product number
- FB156376
- Product name
- 7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one
- Packaging
- 500mg
- Price
- $80
- Updated
- 2021/12/16
- Product number
- FB156376
- Product name
- 7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one
- Packaging
- 1g
- Price
- $120
- Updated
- 2021/12/16
7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one Chemical Properties,Usage,Production
Uses
7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one is used in the pharmaceutical field as an anticancer agent component, and in organic synthesis as a synthetic reaction reagent or intermediate component.
Synthesis
38191-34-3
79-04-9
321436-06-0
2. 2-Amino-5-bromophenol (2.53 g, 18.2 mmol, 1.0 eq.) was dissolved in a solvent mixture of 15 mL of isobutylmethyl ketone and 15 mL of water, and cooled to 0 °C. Subsequently, NaHCO3 (3.67 g, 2.4 eq.) and chloroacetyl chloride (2.36 g, 1.67 mL, 1.15 eq.) were added. The reaction mixture was heated to reflux and stirred overnight, then cooled to room temperature. After completion of the reaction, the mixture was diluted with ethyl acetate, washed sequentially with water, dried with MgSO4 and finally concentrated under vacuum. Purification by silica gel column chromatography afforded 7-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-one in 77% yield. After analyzed by low resolution mass spectrometry (LRMS), the molecular ion peak (M + H)+ was measured to be 180.1, which was consistent with the theoretical value of C9H10NO3.
References
[1] Journal of Medicinal Chemistry, 2015, vol. 58, # 1, p. 222 - 236
[2] ACS Medicinal Chemistry Letters, 2014, vol. 5, # 5, p. 592 - 597
[3] MedChemComm, 2015, vol. 6, # 7, p. 1375 - 1380
[4] ChemMedChem, 2015, vol. 10, # 11, p. 1821 - 1836
[5] Patent: US6534535, 2003, B1
7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one manufacturers
- Product
- BUTTPARK 120\07-73 321436-06-0
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 95-99%
- Supply Ability
- 1ton
- Release date
- 2020-01-08
- Product
- BUTTPARK 120\07-73 321436-06-0
- Price
- US $6.60/KG
- Min. Order
- 1KG
- Purity
- 98%-99%
- Supply Ability
- 1kg-1000kg
- Release date
- 2020-01-07