Ethyl 4-(2-hydroxy-2-propanyl)-2-propyl-1H-imidazole-5-carboxylate

Basic Information

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CAS Number

144689-93-0

Molecular Formula

C12H20N2O3

Molecular Weight

240.3 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

102.0 to 106.0 deg-C

Boiling Point

456.2°C at 760 mmHg

Density

1.1±0.1 g/cm3

Flash Point

229.7±25.9 °C

Refractive Index

1.521

Vapor Pressure

0.0±1.2 mmHg at 25°C

SMILES

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CCCC1=NC(=C(N1)C(C)(C)O)C(=O)OCC

InChI

InChI=1S/C12H20N2O3/c1-5-7-8-13-9(11(15)17-6-2)10(14-8)12(3,4)16/h16H,5-7H2,1-4H3,(H,13,14)

InChIKey

KZBJJAFGNMRRHN-UHFFFAOYSA-N

LogP

1.7663

Topological Polar Surface Area

75.21 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

269

Safety Information

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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

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

Synonyms & References

English

4-(2-Hydroxy-2-propyl)-2-propyl-1H-imidazole-5-carboxylic Acid Ethyl Ester
Ethyl 4-(2-Hydroxy-2-propyl)-2-propyl-1H-imidazole-5-carboxylate
SY021273
Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-imidazole-5-carboxylate
3-ethyl-5-(1-hydroxy-1-methyl-ethyl)-2-propyl-imidazole-4-carboxylate;Olmesartan Impurity 2
CS-0131776
Ethyl 4-(1-hydroxy-1-methyl-ethyl)-2-propyl-1H-imidazole-5-carboxylate
144689-93-0
Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1H-imidazole-5-carboxylate
KZBJJAFGNMRRHN-UHFFFAOYSA-N
EX-A3316-3
1H-Imidazole-4-carboxylic acid, 5-(1-hydroxy-1-methylethyl)-2-propyl-, ethyl ester
AKOS015856335
2-Propyl-5-(1-hydroxy-1-methylethyl)-3H-imidazole-4-carboxylic Acid Ethyl Ester
Ethyl4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate
ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylate
Ethyl 5-(2-hydroxy-2-propanyl)-2-propyl-1H-imidazole-4-carboxylate
4-(1-Hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylic acid ethyl ester
ethyl-4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate
EC 604-434-7
SCHEMBL987234
1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-, ethyl ester
DTXSID40441791
DS-0283
4-(1-hydroxy-1-methylethyl)-2-propyl imidazol-5-carboxylic acid ethyl ester
5-(1-Hydroxy-1-methyl-ethyl)-2-propyl-1h-imidazole-4-carboxylic acid ethyl ester
NS00005848
Ethyl 4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate
4-(1-hydroxy-1-methylethyl)-2-propyl-1H-imidazole-5-carboxylic acid ethyl ester
FT-0647781
A808262

MDL Number

MFCD07787565

Customs Code

2933290090

FAQ

What is Ethyl 4-(2-hydroxy-2-propanyl)-2-propyl-1H-imidazole-5-carboxylate (CAS: 144689-93-0)?

Ethyl 4-(2-hydroxy-2-propanyl)-2-propyl-1H-imidazole-5-carboxylate (CAS: 144689-93-0) is a chemical compound belonging to the imidazole class. It contains a carboxylate group and functional substituents, making it useful in various chemical applications. Its molecular structure includes an imidazole ring with ethyl and propyl side chains, contributing to its reactivity and potential utility in organic synthesis.

What are the main uses of Ethyl 4-(2-hydroxy-2-propanyl)-2-propyl-1H-imidazole-5-carboxylate (CAS: 144689-93-0)?

Ethyl 4-(2-hydroxy-2-propanyl)-2-propyl-1H-imidazole-5-carboxylate (CAS: 144689-93-0) is primarily used in pharmaceutical research for developing compounds with biological activity. It also serves as an intermediate in the synthesis of various organic chemicals, including potential drug candidates. Its unique structure makes it relevant in the study of enzyme inhibitors and other therapeutic agents.

Is Ethyl 4-(2-hydroxy-2-propanyl)-2-propyl-1H-imidazole-5-carboxylate (CAS: 144689-93-0) safe?

Ethyl 4-(2-hydroxy-2-propanyl)-2-propyl-1H-imidazole-5-carboxylate (CAS: 144689-93-0) is generally considered safe when handled properly. However, it should be treated with standard chemical safety precautions, such as wearing gloves and protective eyewear. It is advisable to consult safety data sheets for detailed information on toxicity and handling protocols.

How should Ethyl 4-(2-hydroxy-2-propanyl)-2-propyl-1H-imidazole-5-carboxylate (CAS: 144689-93-0) be stored?

Ethyl 4-(2-hydroxy-2-propanyl)-2-propyl-1H-imidazole-5-carboxylate (CAS: 144689-93-0) should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is recommended to keep it in a sealed container made of inert material to maintain stability and prevent degradation. Proper storage helps ensure its chemical integrity and safety during handling.