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

Basic Information

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CAS Number

352004-58-1

Molecular Formula

C13H23NO4

Molecular Weight

257.33 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 Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CC(C)(C)OC(=O)N1CCCC(C1)CCC(=O)O

InChI

InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-8-4-5-10(9-14)6-7-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)

InChIKey

ZVYVZEUADCRFHK-UHFFFAOYSA-N

LogP

2.4983000000000004

Topological Polar Surface Area

66.84 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

309

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

1-boc-piperidin-3-yl-propionic acid
3-(1-(tert-butoxycarbonyl)piperidin-3-yl)propanoic acid
FT-0630185
Z852068080
3-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}propanoic acid
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
352004-58-1
DTXSID80373567
AM100705
1-Boc-Piperidin-3-Ylpropionic Acid
3-[1-(tert-butoxycarbonyl)-3-piperidinyl]propionic acid
3-(2-carboxy-ethyl)-piperidine-1-carboxylic acid tert-butyl ester
1-Boc-3-piperidinepropanoic acid
ZVYVZEUADCRFHK-UHFFFAOYSA-N
AS-37126
EN300-56239
AKOS010975621
CS-0154713
Q-103027
CPA00458
SCHEMBL307201
MFCD02179008
1-Boc-piperidin-3-ylpropanoic acid
3-PIPERIDINEPROPANOIC ACID, 1-[(1,1-DIMETHYLETHOXY)CARBONYL]-
AB10976
1-Boc-Piperidin-3-ylpropionic acid
3-(2-Carboxyethyl)piperidine-1-carboxylic acid tert-butyl ester
3-(1-(tert-Butoxycarbonyl)piperidin-3-yl)propanoic acid
3-(2-CARBOXY-ETHYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
N-Boc-3-piperidinepropionic acid
N-BOC-3-PIPERIDINEPROPANOIC ACID

MDL Number

MFCD02179008

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 3-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinyl)propanoic acid (CAS: 352004-58-1)?

3-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinyl)propanoic acid (CAS: 352004-58-1) is a white to off-white crystalline solid with a molecular weight of approximately 334.4 g/mol. It has poor water solubility and good solubility in organic solvents like methanol and ethyl acetate. The compound is moderately reactive, showing susceptibility to hydrolysis under basic conditions. It is stable under neutral and acidic conditions.

How is 3-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinyl)propanoic acid (CAS: 352004-58-1) typically synthesized?

3-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinyl)propanoic acid (CAS: 352004-58-1) is typically synthesized via a multi-step process involving acylation of a piperidine derivative. The acylation is catalyzed by a Lewis acid like aluminium trichloride in anhydrous dichloromethane. The reaction is carried out under mild conditions to achieve good selectivity and high yield.

What industries use 3-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinyl)propanoic acid (CAS: 352004-58-1)?

3-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinyl)propanoic acid (CAS: 352004-58-1) is primarily used in the pharmaceutical industry for the synthesis of complex biological molecules. It is also found in sensor applications due to its unique chemical properties, though on a smaller scale.

What precautions should be taken when handling 3-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinyl)propanoic acid (CAS: 352004-58-1)?

When handling 3-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinyl)propanoic acid (CAS: 352004-58-1), operators should wear appropriate personal protective equipment (PPE), including gloves, lab coat, and safety goggles. Storage should be in a cool, dry place away from heat sources. In case of spill, immediately neutralize with an appropriate acid-base buffer to minimize environmental impact. Refer to the Safety Data Sheet (SDS) for detailed handling procedures.