Methyl 2,6-dichloro-5-nitropyriMidine-4-carboxylate
- Product Name
- Methyl 2,6-dichloro-5-nitropyriMidine-4-carboxylate
- CAS No.
- 52047-13-9
- Chemical Name
- Methyl 2,6-dichloro-5-nitropyriMidine-4-carboxylate
- Synonyms
- Methyl 2,6-dichloro-5-nitropyriMidine-4-carboxylate;4-Pyrimidinecarboxylic acid, 2,6-dichloro-5-nitro-, methyl ester
- CBNumber
- CB62566087
- Molecular Formula
- C6H3Cl2N3O4
- Formula Weight
- 252.01
- MOL File
- 52047-13-9.mol
Methyl 2,6-dichloro-5-nitropyriMidine-4-carboxylate Property
- Melting point:
- 90-91 °C
- Boiling point:
- 383.7±37.0 °C(Predicted)
- Density
- 1.685±0.06 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -9.02±0.39(Predicted)
- InChI
- InChI=1S/C6H3Cl2N3O4/c1-15-5(12)2-3(11(13)14)4(7)10-6(8)9-2/h1H3
- InChIKey
- QOZVZJLPNJOHFA-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC(Cl)=C([N+]([O-])=O)C(C(OC)=O)=N1
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
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
- HCH0353470
- Product name
- METHYL-2,6-DICHLORO-5-NITROPYRIMIDINE-4-CARBOXYLATE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $505.21
- Updated
- 2021/12/16
- Product number
- 071121
- Product name
- Methyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate
- Purity
- 97%
- Packaging
- 5g
- Price
- $1440
- Updated
- 2021/12/16
- Product number
- 7303AB
- Product name
- Methyl2,6-dichloro-5-nitropyrimidine-4-carboxylate
- Packaging
- 5g
- Price
- $1994
- Updated
- 2021/12/16
- Product number
- UT02306
- Product name
- Methyl2,6-dichloro-5-nitropyrimidine-4-carboxylate
- Purity
- 97%
- Packaging
- 0.25g
- Price
- $133.33
- Updated
- 2021/12/16
- Product number
- UT02306
- Product name
- Methyl2,6-dichloro-5-nitropyrimidine-4-carboxylate
- Purity
- 97%
- Packaging
- 0.5g
- Price
- $214.6
- Updated
- 2021/12/16
Methyl 2,6-dichloro-5-nitropyriMidine-4-carboxylate Chemical Properties,Usage,Production
Synthesis
6311-73-5
52047-13-9
B. Preparation of methyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate (Compound 3). Methyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylate (Compound 2, 1.00 g, 3.97 mmol) was dissolved in phosphorus trichloride (4 mL). N,N-diethylaniline (1.3 mL) was added slowly and dropwise at room temperature. The reaction mixture was stirred at room temperature for 30 minutes, followed by heating and refluxing for 20 minutes. Upon completion of the reaction, the excess trichlorophosphorus was removed by concentration under reduced pressure. The concentrated oily residue was carefully poured into an ice-water mixture (10 mL) to quench the reaction. The aqueous phase was extracted with ethyl acetate (20 mL x 2) and the organic phases were combined. The organic phase was washed sequentially with 0.5 M hydrochloric acid (10 mL), saturated sodium bicarbonate solution (10 mL) and saturated saline (10 mL). The organic phase was dried over anhydrous sodium sulfate and concentrated under reduced pressure to give the yellow oily target product methyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate (0.78 g, 78% yield). Mass spectrum (electrospray ionization) m/e 252 ([C6H3Cl2N3O4 + H]+).
References
[1] Journal of Medicinal Chemistry, 1999, vol. 42, # 11, p. 1951 - 1964
[2] Patent: WO2006/55831, 2006, A2. Location in patent: Page/Page column 46
[3] Journal of the Chemical Society, 1958, p. 2821,2823
Methyl 2,6-dichloro-5-nitropyriMidine-4-carboxylate Preparation Products And Raw materials
Raw materials
Preparation Products
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