5-(Ethoxycarbonyl)-4-(2-ethoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylic acid

Basic Information

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CAS Number

9001-01-8

Molecular Formula

C13H17NO6

Molecular Weight

283.28 g/mol

EINECS

232-574-5

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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CCOC(=O)Cc1c(c([nH]c1C(=O)OCC)C)C(=O)O

InChI

InChI=1S/C13H17NO6/c1-4-19-9(15)6-8-10(12(16)17)7(3)14-11(8)13(18)20-5-2/h14H,4-6H2,1-3H3,(H,16,17)

InChIKey

JGZGUPTWAYEWTL-UHFFFAOYSA-N

LogP

1.30362

Topological Polar Surface Area

105.69000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

413

Safety Information

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Storage Conditions

2-8°C

RTECS

NZ2017050

Synonyms & References

English

Kallikrein
KALLIKREIN FROM HUMAN PLASMA
Kininogenase
Kininogenin
Bradykini
Callicrein
Dpot-padutin
Glumorin
Kallikrein from porcine pancreas
MFCD00156894
Bradykininogenase
Circuletin
Depot-Glumorin
Depot-Padutin
Dilminal D
E.C. 3.4.21.8
E.C. 3.4.4.21
EC 3.4.21.8
EC 3.4.4.21
Follipsin
Kalirechin
Kallidinogenase
Kallikrein esterase
KLK protease
MeSH ID: D007610
Onokrein P
Padreatin
Padukrein
Padutin
Pancreatic kallikrein
Prokrein

MDL Number

MFCD00131428

EC Number

232-574-5

FAQ

What regulatory guidelines apply to 5-(Ethoxycarbonyl)-4-(2-ethoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylic acid (CAS: 9001-01-8)?

The compound 5-(Ethoxycarbonyl)-4-(2-ethoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylic acid (CAS: 9001-01-8) is subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and the EPA/FDA regulatory requirements in the United States. Specific handling, storage, and disposal guidelines are necessary to ensure compliance with these regulations.

Are there alternatives to 5-(Ethoxycarbonyl)-4-(2-ethoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylic acid (CAS: 9001-01-8) in synthesis?

There are several alternatives to 5-(Ethoxycarbonyl)-4-(2-ethoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylic acid (CAS: 9001-01-8) in synthesis, including other similar pyrrole derivatives and carboxylic acid analogs. These can be used as substitutes depending on the specific reaction conditions and desired product characteristics.

What is the market or research trend for 5-(Ethoxycarbonyl)-4-(2-ethoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylic acid (CAS: 9001-01-8)?

The market and research trends for 5-(Ethoxycarbonyl)-4-(2-ethoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylic acid (CAS: 9001-01-8) are focused on its applications in pharmaceuticals and materials science. Research is also exploring its potential in catalysis and as a building block for complex organic synthesis.

How should waste containing 5-(Ethoxycarbonyl)-4-(2-ethoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylic acid (CAS: 9001-01-8) be handled?

Waste containing 5-(Ethoxycarbonyl)-4-(2-ethoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylic acid (CAS: 9001-01-8) should be collected and disposed of according to local regulations. Proper waste liquid collection, professional incineration, or safe disposal methods should be employed, ensuring that all environmental protection precautions are followed to prevent contamination and ensure safety.