(4-Methyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)acetic acid | CAS No. 872850-31-2

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

Basic Information

CAS Number

872850-31-2

Molecular Formula

C13H23NO4

Molecular Weight

257.33 g/mol

AD

Basic Physical Properties

CC1(CCN(CC1)C(=O)OC(C)(C)C)CC(=O)O

InChI

InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-7-5-13(4,6-8-14)9-10(15)16/h5-9H2,1-4H3,(H,15,16)

InChIKey

ZPWNCZDQOSXJSA-UHFFFAOYSA-N

LogP

2.4983000000000004

Topological Polar Surface Area

66.84 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

324

Safety Information

View Safety Information

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-(tert-butoxycarbonyl)-4-methylpiperidin-4-yl]acetic acid
  • 1-Boc-4-methylpiperidine-4-acetic Acid
  • 2-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
  • 2-{1-[(tert-butoxy)carbonyl]-4-methylpiperidin-4-yl}acetic acid
  • O10446
  • 872850-31-2
  • SY257554
  • EN300-222551
  • 2-(1-(tert-Butoxycarbonyl)-4-methylpiperidin-4-yl)acetic acid
  • MFCD24539359
  • DTXSID10670298
  • PS-19485
  • 1-Boc-4-methyl-4-piperidineacetic acid
  • A917223
  • AB93451
  • ZPWNCZDQOSXJSA-UHFFFAOYSA-N
  • CS-0145686
  • 2-[1-[(tert-butoxy)carbonyl]-4-methylpiperidin-4-yl]acetic acid
  • 2-(1-tert-butoxycarbonyl-4-methyl-4-piperidyl)acetic acid
  • FT-0753684
  • 2-(1-(tert-Butoxycarbonyl)-4-methylpiperidin-4-yl)aceticacid
  • SCHEMBL2320202

MDL Number

MFCD24539359

FAQ

What are the physical and chemical properties of (4-Methyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)acetic acid (CAS: 872850-31-2)?

(4-Methyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)acetic acid is a white crystalline solid with a molecular weight of approximately 311.42 g/mol. It is slightly soluble in water and soluble in ethanol. It shows acidity due to the carboxylic acid group, making it reactive with bases and some metal compounds. It is stable under normal storage conditions but should be protected from strong acids and oxidizers.

How is (4-Methyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)acetic acid (CAS: 872850-31-2) typically synthesized?

(4-Methyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)acetic acid can be synthesized via the condensation of methyl 4-(2-carboxyethyl)-4-piperidinecarboxylate with 2-methyl-2-propanol using a suitable catalyst like an acid or base. The reaction is typically carried out in an aprotic solvent, such as acetonitrile, and under mild conditions. The yield is usually around 70-80%, with good selectivity for the desired product.

What industries use (4-Methyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)acetic acid (CAS: 872850-31-2)?

(4-Methyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)acetic acid is primarily used in the pharmaceutical industry as a intermediate in the synthesis of certain drugs. It may also find applications in the polymer industry as an additive or modifier, and in the sensor industry as a functional component. However, its specific applications in these fields are limited and require further research.

What precautions should be taken when handling (4-Methyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)acetic acid (CAS: 872850-31-2)?

When handling (4-Methyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)acetic acid, it is important to use personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. It should be stored away from strong acids, bases, and oxidizers. Spills should be handled in a well-ventilated area using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed emergency procedures. Handling should be performed in a fume hood to minimize exposure to the compound.

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