Dimethyl 1H-pyrazole-3,5-dicarboxylate
- Product Name
- Dimethyl 1H-pyrazole-3,5-dicarboxylate
- CAS No.
- 4077-76-3
- Chemical Name
- Dimethyl 1H-pyrazole-3,5-dicarboxylate
- Synonyms
- 3,5-Dicarbomethoxypyrazole;3,5-Bis(methoxycarbonyl)pyrazole;Dimethyl 3,5-pyrazoledicarboxylate;3,5-Bis(methoxycarbonyl)-1H-pyrazole;Dimethyl 1H-pyrazol-3,5-dicarboxylate;Dimethyl 3,5-Pyrazoledicarboxylic acid;3,5-dimethyl 1H-pyrazole-3,5-dicarboxylate;Pyrazole-3,5-dicarboxylic acid dimethyl ester;1H-Pyrazole-3,5-dicarboxylic acid dimethyl ester;1H-Pyrazole-3,5-dicarboxylic acid 3,5-dimethyl ester
- CBNumber
- CB12500406
- Molecular Formula
- C7H8N2O4
- Formula Weight
- 184.15
- MOL File
- 4077-76-3.mol
Dimethyl 1H-pyrazole-3,5-dicarboxylate Property
- Melting point:
- 151-152℃
- Boiling point:
- 344℃
- Density
- 1.346
- Flash point:
- 162℃
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 8.08±0.10(Predicted)
- color
- White
- InChI
- InChI=1S/C7H8N2O4/c1-12-6(10)4-3-5(9-8-4)7(11)13-2/h3H,1-2H3,(H,8,9)
- InChIKey
- SIPQVJNEQSWAOK-UHFFFAOYSA-N
- SMILES
- N1C(C(OC)=O)=CC(C(OC)=O)=N1
Safety
- HazardClass
- IRRITANT
- HS Code
- 2933199090
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
-
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
N-Bromosuccinimide Price
- Product number
- D479718
- Product name
- Dimethyl1H-Pyrazole-3,5-dicarboxylate
- Packaging
- 100mg
- Price
- $40
- Updated
- 2021/12/16
- Product number
- 045329
- Product name
- Dimethyl 1H-pyrazole-3,5-dicarboxylate
- Purity
- >95%
- Packaging
- 1g
- Price
- $20
- Updated
- 2021/12/16
- Product number
- J50866
- Product name
- Dimethyl1H-pyrazole-3,5-dicarboxylate
- Packaging
- 1g
- Price
- $20
- Updated
- 2021/12/16
- Product number
- OR12087
- Product name
- Dimethyl1H-pyrazole-3,5-dicarboxylate
- Packaging
- 1g
- Price
- $24
- Updated
- 2021/12/16
- Product number
- CS-W000535
- Product name
- Dimethyl1H-pyrazole-3,5-dicarboxylate
- Purity
- 99.27%
- Packaging
- 5g
- Price
- $40
- Updated
- 2021/12/16
Dimethyl 1H-pyrazole-3,5-dicarboxylate Chemical Properties,Usage,Production
Uses
Dimethyl 1H-Pyrazole-3,5-dicarboxylate is used in preparation of substituted Dihydropyrazolopyrazinecarboxamide derivatives as EP3 receptor antagonists useful for treating diseases.
Synthesis
67-56-1
3112-31-0
4077-76-3
The general procedure for the synthesis of dimethyl 1H-pyrazole-3,5-dicarboxylate from methanol and 3,5-pyrazoledicarboxylic acid was as follows: 31.7 g (0.203 mol) of 3,5-pyrazoledicarboxylic acid was mixed with 125 mL of methanol and the mixture was saturated with gaseous HCl. The reaction mixture was heated to reflux for 3 hours and subsequently left to stand overnight at room temperature. After completion of the reaction, the precipitate was collected by filtration and washed with methanol. A final 23.5 g (63% yield) of white crystalline product with a melting point of 142-143 °C was obtained. The structure of the product was confirmed by IR spectroscopy, and the main absorption peaks were 3105 cm-1 (broad peak, NH stretching vibration), 1710 cm-1 (strong peak, C=O stretching vibration), and 1240 cm-1 (strong peak, C-O-C stretching vibration).1H NMR spectroscopic data were as follows: δ 3.82 (single peak, 6H, CH3), δ 6.36 (single peak, 1H, pyrazolyl ring 4-H), δ 14.5 (single peak, 1H, pyrazolyl ring 4-H), and δ 14.5 (single peak, 1H). 4-H), δ 14.43 (single peak, 1H, NH).
References
[1] Journal of Medicinal Chemistry, 1997, vol. 40, # 12, p. 1779 - 1788
[2] Journal of Organic Chemistry, 1999, vol. 64, # 21, p. 7751 - 7755
[3] Asian Journal of Chemistry, 2015, vol. 27, # 7, p. 2545 - 2547
[4] Russian Journal of Organic Chemistry, 2016, vol. 52, # 9, p. 1322 - 1325
[5] Zh. Org. Khim., 2016, vol. 52, # 9, p. 1334 - 1337,4
Dimethyl 1H-pyrazole-3,5-dicarboxylate Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from Dimethyl 1H-pyrazole-3,5-dicarboxylate manufacturers
- Product
- 3,5-Bis(methoxycarbonyl)pyrazole 4077-76-3
- Price
- US $30.00-20.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 200000KG
- Release date
- 2024-07-31
- Product
- Dimethyl 1H-pyrazole-3,5-dicarboxylate 4077-76-3
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 100KG
- Release date
- 2019-09-18