7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one

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7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one manufacturers

7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one Basic information

Product Name:	7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one
Synonyms:	BUTTPARK 120\07-73;-broMo-2H-benzo[b][1,4]oxazin-3(4H)-one;7-broMo-3,4-dihydro-2H-1,4-benzoxazin-3-one;7-BROMO-2H-1,4-BENZOXAZIN-3(4H)-ONE;7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one;BUTTPARK 120;7-BroMo-4H-benzo[1,4]oxazin-3-one;7-Bromo-4H-1,4-benzoxazin-3-one
CAS:	321436-06-0
MF:	C8H6BrNO2
MW:	228.04
EINECS:	200-589-5
Product Categories:
Mol File:	321436-06-0.mol

7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one Chemical Properties

Melting point	211-213 °C
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 Information

HS Code

2934999090

MSDS Information

7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one Usage And Synthesis

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	2-Amino-5-bromophenol-->7-Amino-2H-1,4-benzoxazin-3(4H)-one-->Chloroacetyl chloride-->Sodium bicarbonate-->Water-->2,8-Dimethyl-5-nonanone
Preparation Products	7-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine-->7-Bromo-4-methyl-2H-1,4-benzoxazin-3-one

Tag:7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one(321436-06-0) Related Product Information

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