3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonitrile
- Product Name
- 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonitrile
- CAS No.
- 134997-74-3
- Chemical Name
- 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonitrile
- Synonyms
- 3-oxo-4H-1,4-benzoxazine-6-carbonitrile;3,4-Dihydro-3-oxo-2H-1,4-benzoxazine-6-carbonitrile;2H-1,4-Benzoxazine-6-carbonitrile, 3,4-dihydro-3-oxo-;3-Oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbonitrile;3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonitrile
- CBNumber
- CB93084297
- Molecular Formula
- C9H6N2O2
- Formula Weight
- 174.16
- MOL File
- 134997-74-3.mol
3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonitrile Property
- Melting point:
- 106-108 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
- Boiling point:
- 403.2±45.0 °C(Predicted)
- Density
- 1.39±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 11.77±0.20(Predicted)
- color
- Pale brown
Safety
- HS Code
- 2933998090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
- Precautionary statements
-
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
- 4H48-1-TB
- Product name
- 3,4-Dihydro-3-oxo-2H-1,4-benzoxazine-6-carbonitrile
- Purity
- 95.0%
- Packaging
- 250mg
- Price
- $184
- Updated
- 2021/12/16
- Product number
- CHM0389431
- Product name
- 3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-6-CARBONITRILE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $497.17
- Updated
- 2021/12/16
- Product number
- 171547
- Product name
- 3-Oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbonitrile
- Purity
- 95%
- Packaging
- 2.500g
- Price
- $1650
- Updated
- 2021/12/16
- Product number
- 6262AA
- Product name
- 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonitrile
- Packaging
- 10g
- Price
- $2642
- Updated
- 2021/12/16
- Product number
- 05R0931
- Product name
- 3-Oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbonitrile
- Purity
- 97%
- Packaging
- 100mg
- Price
- $131
- Updated
- 2021/12/16
3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonitrile Chemical Properties,Usage,Production
Synthesis
24036-52-0
557-21-1
134997-74-3
A degassed suspension was prepared from 6-bromo-2H-1,4-benzoxazin-3(4H)-one (8.39 g), zinc cyanide (3.46 g) and tetrakis(triphenylphosphine)palladium (2.13 g) in DMF (70 mL). The suspension was reacted in an oil bath at 80 °C with stirring overnight. Upon completion of the reaction, the mixture was cooled to room temperature and subsequently poured into water (500 mL). The precipitate was collected by diafiltration, air dried and washed with pentane. The resulting solid was dissolved in a solvent mixture of dichloromethane/methanol (1:1), filtered through a pad of silica gel, and the filtrate was concentrated to give the yellow solid product 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonitrile (5.68 g, 89% yield). Mass spectrometric detection showed [MH]+ = 175.
References
[1] Patent: WO2008/63667, 2008, A1. Location in patent: Page/Page column 69
[2] Patent: WO2008/63669, 2008, A1. Location in patent: Page/Page column 72
[3] Patent: WO2008/63671, 2008, A2. Location in patent: Page/Page column 174
3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonitrile Preparation Products And Raw materials
Raw materials
Preparation Products
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