Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

Basic Information

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CAS Number

144927-57-1

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

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CCOC(=O)C1=CNC2=C1C(=NC=N2)Cl

InChI

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

InChIKey

PCLIRPRTLSCXET-UHFFFAOYSA-N

LogP

1.7879999999999998

Topological Polar Surface Area

67.87 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

252

Synonyms & References

English

ETHYL 4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBOXYLATE
MFCD11518913
PB14937
FT-0645818
4-Chloro-5-ethoxycarbonyl-7H-pyrrolo[2,3-d]pyrimidine
N-[1-(1-Hydroxy-2-phenyl-ethyl)-piperidin-4-yl]
AKOS028109246
PCLIRPRTLSCXET-UHFFFAOYSA-N
SCHEMBL355606
Ethyl 4-chloro-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylate
DS-10852
J-521325
AM20080339
SY012779
CS-W006018
Ethyl 4-chloro-7H-pyrrolo-[2,3-d]pyrimidine-5-carboxylate
144927-57-1
A808295
Ethyl4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
DTXSID50441767
AKOS015850502
7H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBOXYLIC ACID, 4-CHLORO-, ETHYL ESTER
Ethyl 4-chloro-7H-pyrrolo[2 pound not3-d]pyrimidine-5-carboxylate
4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester
Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
7H-Pyrrolo[2,3-d]pyrimidine-5-carboxylicacid, 4-chloro-, ethyl ester
PubChem14938
4-chloro-5-ethoxycarbonylpyrrolo[2,3-d]pyrimidine
ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

MDL Number

MFCD11518913

Customs Code

2933990090

FAQ

What regulatory guidelines apply to Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate (CAS: 144927-57-1)?

Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate (CAS: 144927-57-1) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for its hazardous properties. It must comply with REACH regulations in the European Union, which require manufacturers and importers to register substances and assess the risks associated with their use. In the United States, it is under the jurisdiction of the FDA for pharmaceutical applications and the EPA for environmental and safety concerns.

Are there alternatives to Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate in synthesis?

Alternatives to Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate in synthesis include various pyrimidine derivatives and their analogs, such as 4-chloropyrimidine-5-carboxylic acid and its ethyl ester. These can serve as viable substitutes depending on the specific requirements of the reaction. Common alternative reagents include acetyl chloride and ethyl chloroformate, which can be used in similar synthetic pathways.

What is the market or research trend for Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate?

The market and research trend for Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate (CAS: 144927-57-1) is focused on its applications in pharmaceuticals and agrochemicals due to its unique chemical structure. Recent research has explored its potential as a pharmacological agent and as an intermediate in the synthesis of novel compounds. Market trends indicate increasing interest in sustainable and efficient synthesis methods, with a focus on reducing environmental impact and improving the yield of the target compounds.

How should waste containing Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate be handled?

Waste containing Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate (CAS: 144927-57-1) should be handled according to local and national regulations. Collection and storage of waste should be done in appropriate containers, and waste should be incinerated or professionally disposed of by a certified waste management company. Environmental protection precautions include minimizing exposure to air, water, and soil, and ensuring all personnel follow safety guidelines to prevent accidental inhalation or contact with the waste material.