ChemicalBook > CAS DataBase List > ETHYL 5-ISOPROPYLPYRAZOLE-3-CARBOXYLATE

ETHYL 5-ISOPROPYLPYRAZOLE-3-CARBOXYLATE

Product Name
ETHYL 5-ISOPROPYLPYRAZOLE-3-CARBOXYLATE
CAS No.
78208-72-7
Chemical Name
ETHYL 5-ISOPROPYLPYRAZOLE-3-CARBOXYLATE
Synonyms
ETHYL 5-ISOPROPYLPYRAZOLE-3-CARBOXYLATE;ETHYL-3-ISOPROPYL PYRAZOLE-5-CARBOXYLATE;ETHYL 5-ISOPROPYLPYRAZOLE-3-CARBOXYLATE, 97;ethyl 3-(propan-2-yl)-1H-pyrazole-5-carboxylate;Ethyl 5-(1-methylethyl)-1H-pyrazole-3-carboxylate;3-ISOPROPYL-1H-PYRAZOLE-5-CARBOXYLICACIDETHYLESTER;5-Isopropyl-1H-pyrazole-3-carboxylic acid ethyl ester;1H-Pyrazole-3-carboxylic acid, 5-(1-Methylethyl)-, ethyl ester
CBNumber
CB7500776
Molecular Formula
C9H14N2O2
Formula Weight
182.22
MOL File
78208-72-7.mol
More
Less

ETHYL 5-ISOPROPYLPYRAZOLE-3-CARBOXYLATE Property

Melting point:
75°C
Boiling point:
313.0±30.0 °C(Predicted)
Density 
1.101
storage temp. 
2-8°C
pka
11.36±0.10(Predicted)
Appearance
Light yellow to yellow Solid
InChI
InChI=1S/C9H14N2O2/c1-4-13-9(12)8-5-7(6(2)3)10-11-8/h5-6H,4H2,1-3H3,(H,10,11)
InChIKey
ILTUMWMASHHTOQ-UHFFFAOYSA-N
SMILES
N1C(C(C)C)=CC(C(OCC)=O)=N1
More
Less

Safety

HS Code 
2933199090
More
Less

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

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.

More
Less

N-Bromosuccinimide Price

TRC
Product number
E921968
Product name
Ethyl3-isopropyl-1H-pyrazole-5-carboxylate,
Packaging
100mg
Price
$45
Updated
2021/12/16
TRC
Product number
E921968
Product name
Ethyl3-isopropyl-1H-pyrazole-5-carboxylate,
Packaging
250mg
Price
$55
Updated
2021/12/16
TRC
Product number
E921968
Product name
Ethyl3-isopropyl-1H-pyrazole-5-carboxylate,
Packaging
500mg
Price
$65
Updated
2021/12/16
AK Scientific
Product number
Y5548
Product name
Ethyl3-isopropyl-1H-pyrazole-5-carboxylate
Packaging
1g
Price
$77
Updated
2021/12/16
Apolloscientific
Product number
OR909670
Product name
Ethyl3-isopropyl-1H-pyrazole-5-carboxylate,
Purity
98%
Packaging
1g
Price
$100
Updated
2021/12/16
More
Less

ETHYL 5-ISOPROPYLPYRAZOLE-3-CARBOXYLATE Chemical Properties,Usage,Production

Uses

Ethyl 3-isopropyl-1H-pyrazole-5-carboxylate,

Synthesis

64195-85-3

78208-72-7

General procedure for the synthesis of ethyl 5-isopropylpyrazole-3-carboxylate from ethyl 2,4-dioxo-5-methyl-hexanoate: a mixture of ethyl 2,4-dioxo-5-methyl-hexanoate (1 g, 5.37 mmol) and hydrazine hydrate (10.7 mmol, 9.64 mol/L) in ethanol (20 mL) was stirred for 1 hr at 75 °C under nitrogen atmosphere. After completion of the reaction, the mixture was concentrated under vacuum. The residue was purified by silica gel column chromatography using petroleum ether: ethyl acetate (2:1, v/v) as eluent to afford ethyl 5-isopropylpyrazole-3-carboxylate (0.55 g, 56% yield) as a light yellow solid. Mass spectrum (ESI, positive ion mode) m/z: 183.1 [M + H]+. 1H NMR (600 MHz, CDCl3) δ: 11.37 (br s, 1H), 6.63 (s, 1H), 4.40-4.37 (m, 2H), 3.07-3.05 (m, 1H), 1.43-1.40 (m, 3H), 1.39- 1.30 (m, 6H).

References

[1] Patent: WO2016/127859, 2016, A1. Location in patent: Paragraph 00202
[2] Patent: WO2015/165835, 2015, A1. Location in patent: Page/Page column 63; 64
[3] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 20, p. 5620 - 5623
[4] Bioorganic and Medicinal Chemistry Letters, 2009, vol. 19, # 9, p. 2537 - 2541
[5] Patent: US2004/220186, 2004, A1. Location in patent: Page 18

ETHYL 5-ISOPROPYLPYRAZOLE-3-CARBOXYLATE Preparation Products And Raw materials

Raw materials

Preparation Products

More
Less

ETHYL 5-ISOPROPYLPYRAZOLE-3-CARBOXYLATE Suppliers

Spectrum Info Ltd.
Tel
--
Fax
--
Email
spec-info@spec-info.com
Country
Ukraine
ProdList
512
Advantage
60
More
Less

View Lastest Price from ETHYL 5-ISOPROPYLPYRAZOLE-3-CARBOXYLATE manufacturers

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
Product
Ethyl5-isopropylpyrazole-3-carboxylate 78208-72-7
Price
US $1.60-9.60/kg
Min. Order
1kg
Purity
99%
Supply Ability
100kg
Release date
2025-06-20
Career Henan Chemical Co
Product
ETHYL 5-ISOPROPYLPYRAZOLE-3-CARBOXYLATE, 97 78208-72-7
Price
US $1.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
100KG
Release date
2018-12-22