5-Bromopyrimidine-2-carbonitrile
- Product Name
- 5-Bromopyrimidine-2-carbonitrile
- CAS No.
- 38275-57-9
- Chemical Name
- 5-Bromopyrimidine-2-carbonitrile
- Synonyms
- Favipiravir Impurity 45;5-BROMO-2-CYANOPYRIMIDINE;2-Cyano-5-bromopyrimidine;5-bromo-pyrimidine-2-carb...;5-Bromo-2-cyanopyrimidine, 99%;5-Bromo-pyrimidine-2-carbonitiL;5-broMo-pyriMidine-2-carbonitile;5-Bromo-2-pyrimidinecarbonitrile;5-BROMOPYRIMIDINE-2-CARBONITRILE;2-PYRIMIDINECARBONITRILE, 5-BROMO-
- CBNumber
- CB2363606
- Molecular Formula
- C5H2BrN3
- Formula Weight
- 183.99
- MOL File
- 38275-57-9.mol
5-Bromopyrimidine-2-carbonitrile Property
- Boiling point:
- 317.7±34.0 °C(Predicted)
- Density
- 1.86±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,2-8°C
- pka
- -4.65±0.22(Predicted)
- form
- Solid
- color
- White to yellow
- Water Solubility
- Slightly soluble in water.
- Sensitive
- Moisture Sensitive
- InChI
- InChI=1S/C5H2BrN3/c6-4-2-8-5(1-7)9-3-4/h2-3H
- InChIKey
- VPQICCOHFSGBMA-UHFFFAOYSA-N
- SMILES
- C1(C#N)=NC=C(Br)C=N1
- CAS DataBase Reference
- 38275-57-9(CAS DataBase Reference)
Safety
- Hazard Codes
- Xi,Xn,N
- Risk Statements
- 20/21/22-37/38-41-50
- Safety Statements
- 26-36/37-39-61
- RIDADR
- 3077
- Hazard Note
- Irritant
- TSCA
- No
- HazardClass
- 6.1
- PackingGroup
- Ⅲ
- HS Code
- 29339900
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H302Harmful if swallowed
H312Harmful in contact with skin
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.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- B682893
- Product name
- 5-Bromo-2-cyanopyrimidine
- Packaging
- 500mg
- Price
- $65
- Updated
- 2021/12/16
- Product number
- B2036
- Product name
- 5-Bromo-2-cyanopyrimidine
- Purity
- 98%
- Packaging
- 1g
- Price
- $5
- Updated
- 2021/12/16
- Product number
- OR3247
- Product name
- 5-Bromopyrimidine-2-carbonitrile
- Packaging
- 1g
- Price
- $15
- Updated
- 2021/12/16
- Product number
- B2036
- Product name
- 5-Bromo-2-cyanopyrimidine
- Purity
- 98%
- Packaging
- 5g
- Price
- $17
- Updated
- 2021/12/16
- Product number
- OR3247
- Product name
- 5-Bromopyrimidine-2-carbonitrile
- Packaging
- 5g
- Price
- $27
- Updated
- 2021/12/16
5-Bromopyrimidine-2-carbonitrile Chemical Properties,Usage,Production
Chemical Properties
Light yellow crystalline/powder
Uses
5-Bromo-2-cyanopyrimidine is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.
Preparation
5-Bromopyrimidine-2-carbonitrile is a pharmaceutical intermediate that can be obtained by reacting 5-bromo-2-chloropyrimidine with potassium nitride. It can also be obtained as follow: 5-Bromo-2-chloropyrimidine (7.51 g, 38.83 mmol), dissolved in DMSO (20 mL), is added to a mixture of NaCN (1.9 g, 38.83 mmol) and l,4-diazabicyclo[2,2,2]octane (0.87 g, 7.77 mmol) in DMSO (10 mL) and water (20 mL). The mixture is stirred overnight, and then water (100 mL) is added. The mixture is extracted with ether (3x100 mL). The combined organic layer is dried (Na2SO4), filtered, and concentrated in vacuo to afford 5-Bromopyrimidine-2-carbonitrile as a solid.
Synthesis
143-33-9
32779-36-5
38275-57-9
General procedure for the synthesis of 5-bromo-2-cyanopyrimidine from sodium cyanide and 5-bromo-2-chloropyrimidine: 1. In a reaction flask, 5-bromo-2-chloropyrimidine (10 g, 51.8 mmol) was dissolved in dimethyl sulfoxide (26 mL). 2. a mixture of sodium cyanide (2.59 g, 51.8 mmol) and triethylenediamine (1.2 g, 10.4 mmol) in dimethyl sulfoxide (14 mL) and water (28 mL) was added sequentially to the above solution. 3. The reaction mixture was stirred at room temperature for 18 hours. 4. Upon completion of the reaction, the mixture was diluted with water (130 mL) and extracted with ether (3 x 150 mL). 5. The organic phases were combined, dried over anhydrous sodium sulfate and concentrated under reduced pressure to give a light yellow solid. 6. The resulting solid was purified by recrystallization from hot dichloromethane to afford the target product 5-bromo-2-cyanopyrimidine. Yield: 99% (9.4 g). 1H NMR (CDCl3, 400 MHz) δ: 8.84 (s, 2H).
References
[1] Patent: WO2005/28452, 2005, A1. Location in patent: Page/Page column 87
[2] Patent: WO2008/121670, 2008, A1. Location in patent: Page/Page column 93-94
[3] Patent: WO2008/57336, 2008, A2. Location in patent: Page/Page column 44
[4] Patent: WO2004/56369, 2004, A1. Location in patent: Page/Page column 20
5-Bromopyrimidine-2-carbonitrile Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 5-Bromopyrimidine-2-carbonitrile manufacturers
- Product
- 5-Bromopyrimidine-2-carbonitrile 38275-57-9
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 10000KGS
- Release date
- 2025-03-28
- Product
- 5-Bromo-2-pyrimidinecarbonitrile 38275-57-9
- Price
- US $122.00-1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2024-01-11
- Product
- 5-Bromopyrimidine-2-carbonitrile 38275-57-9
- Price
- US $1.10/g
- Min. Order
- 1g
- Purity
- 99.00%
- Supply Ability
- 100 Tons Min
- Release date
- 2021-12-14