3-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)benzoic acid

Basic Information

View in Editor

CAS Number

828243-30-7

Molecular Formula

C17H23NO4

Molecular Weight

305.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Physical State

Pale-yellow to Yellow-brown Solid

SMILES

View in Editor

CC(C)(C)OC(=O)N1CCC(CC1)c2cccc(c2)C(=O)O

InChI

InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)18-9-7-12(8-10-18)13-5-4-6-14(11-13)15(19)20/h4-6,11-12H,7-10H2,1-3H3,(H,19,20)

InChIKey

PDPYHAXCPUSEMT-UHFFFAOYSA-N

LogP

3.4993000000000016

Topological Polar Surface Area

66.84 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

407

Safety Information

View Safety Information

Hazard Statement

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

3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)benzoic acid
1-BOC-4-(3-CARBOXY-PHENYL)-PIPERIDINE
1-Piperidinecarboxylic acid, 4-(3-carboxyphenyl)-, 1-(1,1-dimethylethyl)ester
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
4-(3-carboxyphenyl)-1-Piperidinecarboxylic acid 1-(1,1-dimethylethyl)ester
3-(1-tert-butoxycarbonyl-4-piperidyl)benzoic acid

MDL Number

MFCD02178898

Customs Code

2933399090

FAQ

What is 3-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)benzoic acid (CAS: 828243-30-7)?

3-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)benzoic acid is a synthetic compound with a molecular formula of C19H25NO4. It is a white to off-white powder with a pKa value of around 4.0. This compound is characterized by its stability and unique chemical properties, making it suitable for various applications.

What are the main uses of 3-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)benzoic acid (CAS: 828243-30-7)?

3-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)benzoic acid is primarily used in pharmaceutical research for its potential analgesic and anti-inflammatory properties. It also has applications in the synthesis of other compounds and as a reagent in organic chemistry.

Is 3-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)benzoic acid (CAS: 828243-30-7) safe?

3-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)benzoic acid is generally considered safe under normal handling conditions. However, it should be handled with care to avoid skin and eye contact. Protective gloves and goggles are recommended. Ingestion or inhalation should be avoided, and it should be stored in a dry, cool place away from direct sunlight.

How should 3-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)benzoic acid (CAS: 828243-30-7) be stored?

3-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)benzoic acid should be stored in a sealed container at room temperature, away from direct sunlight and heat sources. It should be kept in a dry environment to prevent moisture absorption, which could affect its stability. The container must be tightly sealed to maintain its integrity.