Ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate

Basic Information

View in Editor

CAS Number

1224944-77-7

Molecular Formula

C9H8ClN3O2

Molecular Weight

225.64 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

View in Editor

CCOC(=O)C1=C2N=C(C=CN2N=C1)Cl

InChI

InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-11-13-4-3-7(10)12-8(6)13/h3-5H,2H2,1H3

InChIKey

UOZKVCQDLXBWBG-UHFFFAOYSA-N

LogP

1.5594

Topological Polar Surface Area

56.489999999999995 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

252

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
Ethyl 5-chloropyrazolo-[1,5-a]pyrimidine-3-carboxylate
QC-5382
UOZKVCQDLXBWBG-UHFFFAOYSA-N
PubChem20883
BCP14429
PB24026
AX8225122
AB0031001
X3315
ST24025004
5-Chloro-pyrazolo1,5-apyrimidine-3-carboxylic acid ethyl ester
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5-chloro-, ethyl ester
5-CHLORO-PYRAZOLO[1,5-A]P
5-chloropyrazole [1,5- a] pyrimidine-3-ethyl formate]
ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
5-Chloro-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester
DTXSID10728728
1224944-77-7
ETHYL5-CHLOROPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLATE
EN300-250579
DB-360527
5-CHLORO-PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER
CS-D0465
DS-0935
AC-31284
SY046548
AMY22328
MFCD12407819
Ethyl 5-chloropyrazolo[1 pound not5-a]pyrimidine-3-carboxylate
Z1509522919

MDL Number

MFCD12407819

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS: 1224944-77-7)?

Ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS: 1224944-77-7) is a white crystalline solid with a molecular weight of 241.57 g/mol. It is soluble in polar solvents such as methanol and acetone but has low solubility in water. This compound is known for its high reactivity, particularly in nucleophilic substitution reactions.

How is Ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS: 1224944-77-7) typically synthesized?

Ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS: 1224944-77-7) is synthesized through a multi-step process involving the condensation of 5-chloropyrazole and ethyl cyanoacetate, followed by hydrolysis. The reaction is catalyzed by a combination of acid and base, with high selectivity and a yield of approximately 85%.

What industries use Ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS: 1224944-77-7)?

Ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS: 1224944-77-7) is used in the pharmaceutical industry for the development of new drugs, as well as in the production of sensors and semiconductors. Its unique functional groups make it suitable for various applications requiring specific chemical properties.

What precautions should be taken when handling Ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS: 1224944-77-7)?

When handling Ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS: 1224944-77-7), it is important to use personal protective equipment (PPE) such as gloves and goggles. Storage should be in a cool, dry place away from direct sunlight. In case of spill, use appropriate absorption materials and consult the Material Safety Data Sheet (MSDS) for further instructions. Ensure proper ventilation in the laboratory and work within a fume hood.