6-NITROQUINAZOLIN-4(3H)-ONE
- Product Name
- 6-NITROQUINAZOLIN-4(3H)-ONE
- CAS No.
- 6943-17-5
- Chemical Name
- 6-NITROQUINAZOLIN-4(3H)-ONE
- Synonyms
- NSC 51669;Afatinib Impurity 102;6-NITRO-4-QUINAZOLONE;6-NITROQUINAZOLIN-4-OL;6-Nitro-4-quinazolinol;6-NITROQUIZOLIN-4(3H)-ONE;6-NITRO-4(3H)-QUINAZOLINONE;6-NITROQUINAZOLIN-4(3H)-ONE;6-Nitro-3H-quinazolin-4-one;6-NITRO-4(1H)-QUINAZOLINONE
- CBNumber
- CB1676877
- Molecular Formula
- C8H5N3O3
- Formula Weight
- 191.14
- MOL File
- 6943-17-5.mol
6-NITROQUINAZOLIN-4(3H)-ONE Property
- Melting point:
- 286-287 °C
- Boiling point:
- 407.0±47.0 °C(Predicted)
- Density
- 1?+-.0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- -1.01±0.20(Predicted)
- color
- Yellow
- InChI
- InChI=1S/C8H5N3O3/c12-8-6-3-5(11(13)14)1-2-7(6)9-4-10-8/h1-4H,(H,9,10,12)
- InChIKey
- MOBNCKURXDGQCB-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=C([N+]([O-])=O)C=C2)C(=O)NC=1
Safety
- HazardClass
- IRRITANT
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P321Specific treatment (see … on this label).
P330Rinse mouth.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- N596450
- Product name
- 6-Nitro-4-quinazolone
- Packaging
- 500mg
- Price
- $525
- Updated
- 2021/12/16
- Product number
- N596450
- Product name
- 6-Nitro-4-quinazolone
- Packaging
- 1g
- Price
- $950
- Updated
- 2021/12/16
- Product number
- 059719
- Product name
- 6-Nitro-4(3H)-quinazolinone
- Packaging
- 500mg
- Price
- $32
- Updated
- 2021/12/16
- Product number
- 059719
- Product name
- 6-Nitro-4(3H)-quinazolinone
- Packaging
- 1g
- Price
- $49
- Updated
- 2021/12/16
- Product number
- V7338
- Product name
- 6-Nitroquinazolin-4(3H)-one
- Packaging
- 1g
- Price
- $123
- Updated
- 2021/12/16
6-NITROQUINAZOLIN-4(3H)-ONE Chemical Properties,Usage,Production
Chemical Properties
Yellow Solid
Uses
Intermediate in the preparation of anticancer agents and enzyme inhibitors.
Synthesis
77287-34-4
616-79-5
6943-17-5
1. Preparation of 6-nitro-3H-quinazolin-4-one: 150 g of 2-amino-5-nitrobenzoic acid was added to 200 ml of formamide and stirred until completely dissolved. The reaction mixture was heated to 170°C and maintained at this temperature for 4 hours. After completion of the reaction, the mixture was cooled to 100°C. 500 ml of ice water was slowly added and stirring was continued for 1 hour. Subsequently, the mixture was filtered under reduced pressure and the solid product was collected. The solid was washed with plenty of water to remove residual reactants and by-products. Finally, the resulting solid was dried at 40 °C for 15 h to afford 4-hydroxy-6-nitroquinazoline (140 g, 90% yield). The structure of the product was confirmed by 1H-NMR (DMSO-d6, 300 MHz): δ8.77 (d, J = 2.7 Hz, 1H), 8.55 (dd, J = 6.9 Hz, 1H), 8.36 (s, 1H), 7.84 (d, J = 9 Hz, 1H).
References
[1] Patent: WO2006/71017, 2006, A1. Location in patent: Page/Page column 34
[2] Tetrahedron Letters, 2002, vol. 43, # 21, p. 3911 - 3913
[3] Tetrahedron Letters, 2003, vol. 44, # 24, p. 4455 - 4458
[4] Patent: US2005/187231, 2005, A1. Location in patent: Page/Page column 14
[5] Tetrahedron, 2013, vol. 69, # 15, p. 3182 - 3191
6-NITROQUINAZOLIN-4(3H)-ONE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 6-NITROQUINAZOLIN-4(3H)-ONE manufacturers
- Product
- 6-NITROQUINAZOLIN-4(3H)-ONE 6943-17-5
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 150KG
- Release date
- 2019-07-09