ChemicalBook > CAS DataBase List > Dimethyl 1H-pyrazole-3,5-dicarboxylate

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
More
Less

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
More
Less

Safety

HazardClass 
IRRITANT
HS Code 
2933199090
More
Less

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.

More
Less

N-Bromosuccinimide Price

TRC
Product number
D479718
Product name
Dimethyl1H-Pyrazole-3,5-dicarboxylate
Packaging
100mg
Price
$40
Updated
2021/12/16
Matrix Scientific
Product number
045329
Product name
Dimethyl 1H-pyrazole-3,5-dicarboxylate
Purity
>95%
Packaging
1g
Price
$20
Updated
2021/12/16
AK Scientific
Product number
J50866
Product name
Dimethyl1H-pyrazole-3,5-dicarboxylate
Packaging
1g
Price
$20
Updated
2021/12/16
Apolloscientific
Product number
OR12087
Product name
Dimethyl1H-pyrazole-3,5-dicarboxylate
Packaging
1g
Price
$24
Updated
2021/12/16
ChemScene
Product number
CS-W000535
Product name
Dimethyl1H-pyrazole-3,5-dicarboxylate
Purity
99.27%
Packaging
5g
Price
$40
Updated
2021/12/16
More
Less

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

More
Less

Dimethyl 1H-pyrazole-3,5-dicarboxylate Suppliers

China 93 Germany 1 India 6 Ukraine 1 United Kingdom 2 United States 12 Global 115
Apollo Scientific Ltd.
Tel
--
Fax
--
Email
sales@apolloscientific.co.uk
Country
United Kingdom
ProdList
6084
Advantage
88
Key Organics Ltd.
Tel
--
Fax
--
Email
info@keyorganics.net
Country
United Kingdom
ProdList
6741
Advantage
50
More
Less

View Lastest Price from Dimethyl 1H-pyrazole-3,5-dicarboxylate manufacturers

Shaanxi Dideu Medichem Co. Ltd
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
Career Henan Chemical Co
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

4077-76-3, Dimethyl 1H-pyrazole-3,5-dicarboxylateRelated Search:

1H-PYRAZOLE-3-CARBONITRILE DIETHYL 3,5-PYRAZOLEDICARBOXYLATE Pyrazole-3-boronic acid Methyl Pyrazole-3-carboxylate 4-CYANOPYRAZOLE 5-Pyrazolecarboxylic acid 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE)-PYRAZOLE Pyrazole

  • 3,5-Bis(methoxycarbonyl)pyrazole
  • 3,5-Dicarbomethoxypyrazole
  • Dimethyl 3,5-pyrazoledicarboxylate
  • Pyrazole-3,5-dicarboxylic acid dimethyl ester
  • 3,5-Bis(methoxycarbonyl)-1H-pyrazole
  • Dimethyl 1H-pyrazol-3,5-dicarboxylate
  • 1H-Pyrazole-3,5-dicarboxylic acid 3,5-dimethyl ester
  • 1H-Pyrazole-3,5-dicarboxylic acid dimethyl ester
  • 3,5-dimethyl 1H-pyrazole-3,5-dicarboxylate
  • Dimethyl 3,5-Pyrazoledicarboxylic acid
  • 4077-76-3