4-AMINO-2-CHLOROPYRIMIDINE-5-CARBONITRILE
- Product Name
- 4-AMINO-2-CHLOROPYRIMIDINE-5-CARBONITRILE
- CAS No.
- 94741-69-2
- Chemical Name
- 4-AMINO-2-CHLOROPYRIMIDINE-5-CARBONITRILE
- Synonyms
- BUTTPARK 60\40-60;4-amino-2-chloropyrimidine-5-nitrile;4-AMINO-2-CHLOROPYRIMIDINE-5-CARBOXNITR&;4-AMINO-2-CHLORO-5-PYRIMIDINECARBONITRILE;4-AMINO-2-CHLOROPYRIMIDINE-5-CARBONITRILE;5-PyriMidinecarbonitrile, 4-aMino-2-chloro-;4-Amino-2-chloropyrimidine-5-carbonitrile ,97%;4-Amino-2-chloropyrimidine-5-carbonitrile , Tech.
- CBNumber
- CB6175946
- Molecular Formula
- C5H3ClN4
- Formula Weight
- 154.56
- MOL File
- 94741-69-2.mol
4-AMINO-2-CHLOROPYRIMIDINE-5-CARBONITRILE Property
- Melting point:
- 200 °C (dec.) (lit.)
- Boiling point:
- 435.0±30.0 °C(Predicted)
- Density
- 1.53±0.1 g/cm3(Predicted)
- storage temp.
- 2-8°C(protect from light)
- solubility
- DMF, DMSO, Methanol, Water
- pka
- -0.68±0.10(Predicted)
- form
- Powder or Flakes
- color
- Brown
- InChI
- InChI=1S/C5H3ClN4/c6-5-9-2-3(1-7)4(8)10-5/h2H,(H2,8,9,10)
- InChIKey
- WDHFCSOENXEMRC-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=C(C#N)C(N)=N1
- CAS DataBase Reference
- 94741-69-2(CAS DataBase Reference)
Safety
- Hazard Codes
- Xn
- Risk Statements
- 22-37/38-41-43
- Safety Statements
- 26-36/37/39
- RIDADR
- UN3439
- WGK Germany
- 3
- Hazard Note
- Harmful
- HazardClass
- 6.1
- PackingGroup
- III
- HS Code
- 29335990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H317May cause an allergic skin reaction
H318Causes serious eye damage
H335May cause respiratory irritation
- Precautionary statements
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
N-Bromosuccinimide Price
- Product number
- 597600
- Product name
- 4-Amino-2-chloropyrimidine-5-carbonitrile
- Purity
- 97%
- Packaging
- 1g
- Price
- $102
- Updated
- 2023/01/07
- Product number
- A604030
- Product name
- 4-Amino-2-chloropyrimidine-5-carbonitrile
- Packaging
- 2.5g
- Price
- $130
- Updated
- 2021/12/16
- Product number
- OR30167
- Product name
- 4-Amino-2-chloropyrimidine-5-carbonitrile
- Packaging
- 1g
- Price
- $47
- Updated
- 2021/12/16
- Product number
- 3H37-5-Y2
- Product name
- 4-Amino-2-chloropyrimidine-5-carbonitrile
- Packaging
- 1g
- Price
- $52
- Updated
- 2021/12/16
- Product number
- JK225087
- Product name
- 4-Amino-2-chloropyrimidine-5-carbonitrile
- Purity
- 97%
- Packaging
- 1g
- Price
- $86
- Updated
- 2021/12/16
4-AMINO-2-CHLOROPYRIMIDINE-5-CARBONITRILE Chemical Properties,Usage,Production
Chemical Properties
White to yellow to brown solid
Uses
4-Amino-2-chloropyrimidine-5-carbonitrile is a potential substituent in the synthesis of anti-anxiety, anti-depressant and anti-psychotic agents.
Synthesis Reference(s)
Journal of Heterocyclic Chemistry, 24, p. 1305, 1987 DOI: 10.1002/jhet.5570240514
Synthesis
3177-24-0
1393179-35-5
94741-69-2
2,4-Dichloropyrimidine-5-carbonitrile (E-1) (2.0 g, 11.5 mmol) was used as a feedstock and dissolved in 1,4-dioxane (20 mL) at 0 °C. Subsequently, ammonium hydroxide solution (28-30%, 4.4 mL, 34.5 mmol) was slowly added dropwise and the reaction mixture was kept at 0 °C during the dropwise addition. After the dropwise addition was completed, the reaction mixture was gradually warmed from 0 °C to room temperature with continuous stirring for 2 hours. Upon completion of the reaction, the mixture was transferred to a dispensing funnel and partitioned with ethyl acetate (200 mL) and water (50 mL). The organic layer was separated and washed with brine and subsequently dried over anhydrous sodium sulfate. The dried organic phase was filtered, mixed with silica gel and concentrated under vacuum. The residue was purified by silica gel column chromatography using a 0-100% ethyl acetate/hexane gradient elution to afford the target product 2-amino-4-chloropyrimidine-5-carbonitrile (E-2) (917 mg) and a mixture of (E-2) and 4-amino-2-chloropyrimidine-5-carbonitrile (E-3). Further purification by a second column chromatography allowed the isolation of additional (E-3) from the above mixture.
References
[1] Patent: US2013/53362, 2013, A1. Location in patent: Paragraph 0723; 0724; 0725
[2] Patent: WO2015/168079, 2015, A1. Location in patent: Paragraph 00607; 00608
4-AMINO-2-CHLOROPYRIMIDINE-5-CARBONITRILE Preparation Products And Raw materials
Raw materials
Preparation Products
4-AMINO-2-CHLOROPYRIMIDINE-5-CARBONITRILE Suppliers
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View Lastest Price from 4-AMINO-2-CHLOROPYRIMIDINE-5-CARBONITRILE manufacturers
- Product
- 4-amino-2-chloropyrimidine-5-carbonitrile 94741-69-2
- Price
- US $3.00-9.00/kg
- Min. Order
- 1kg
- Purity
- 99%min
- Supply Ability
- 50kg
- Release date
- 2025-07-28
- Product
- 4-AMINO-2-CHLOROPYRIMIDINE-5-CARBONITRILE 94741-69-2
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1Ton
- Release date
- 2022-09-22
- Product
- 4-AMino-2-chloro-5-pyriMidinecarbonitrile 94741-69-2
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 20T
- Release date
- 2020-05-14