4-(4-Chlorophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinecarboxylic acid | CAS No. 644981-94-2

4-(4-Chlorophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinecarboxylic acid

Basic Information

CAS Number

644981-94-2

Molecular Formula

C17H22ClNO4

Molecular Weight

339.82 g/mol

AD

Basic Physical Properties

CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C17H22ClNO4/c1-16(2,3)23-15(22)19-10-8-17(9-11-19,14(20)21)12-4-6-13(18)7-5-12/h4-7H,8-11H2,1-3H3,(H,20,21)

InChIKey

UVPSYFHQUVHQJE-UHFFFAOYSA-N

LogP

3.6933000000000025

Topological Polar Surface Area

66.84 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

444

Synonyms & References

English

  • 1-(TERT-BUTOXYCARBONYL)-4-(4-CHLOROPHENYL)PIPERIDINE-4-CARBOXYLIC ACID
  • 4-(4-chloro-phenyl)-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester
  • AKOS025404040
  • MFCD05861537
  • AB91558
  • SCHEMBL654813
  • 4-(4-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
  • 1-[(tert-butoxy)carbonyl]-4-(4-chlorophenyl)piperidine-4-carboxylic acid
  • 1-Boc-4-(4-chlorophenyl)-4-carboxypiperidine
  • AS-42500
  • AMY2029
  • DTXSID50647626
  • EN300-7379496
  • N-BOC-4-(P-CHLOROPHENYL)-4-PIPERIDINE CARBOXYLIC ACID
  • N-Boc-4-(4-chlorophenyl)-4-piperidine carboxylic acid
  • 644981-94-2
  • UVPSYFHQUVHQJE-UHFFFAOYSA-N
  • 1,4-Piperidinedicarboxylic acid, 4-(4-chlorophenyl)-,1-(1,1-dimethylethyl) ester
  • BOC-4-(4-CHLOROPHENYL)-PIPERIDINE-4-CARBOXYLIC ACID
  • N-Boc-4-(4-chlorophenyl)-4-piperidinecarboxylic acid
  • 4-(4-chlorophenyl)piperidine-1,4-dicarboxylic acid mono-tert-butyl ester
  • 4-(4-chlorophenyl)piperidine-1,4-dicarboxylic acid tert-butyl ester
  • SureCN654813

MDL Number

MFCD05861537

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 4-(4-Chlorophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinecarboxylic acid (CAS: 644981-94-2)?

4-(4-Chlorophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinecarboxylic acid is a crystalline solid with a molecular weight of approximately 354.73 g/mol. It is poorly soluble in water but soluble in organic solvents like methanol and acetonitrile. The compound exhibits moderate reactivity in acidic or basic conditions. It has a melting point range of 128-130°C and is stable under normal laboratory conditions.

How is 4-(4-Chlorophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinecarboxylic acid (CAS: 644981-94-2) typically synthesized?

4-(4-Chlorophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinecarboxylic acid is synthesized via the multistep reaction involving piperidine, 4-chlorophenyl chloroformate, and 2-methyl-2-propanol. The key steps include esterification and piperidine substitution. The reaction typically yields 70-80% purity with the use of a catalytic amount of an acid like trifluoroacetic acid.

What industries use 4-(4-Chlorophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinecarboxylic acid (CAS: 644981-94-2)?

4-(4-Chlorophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinecarboxylic acid is primarily used in the pharmaceutical industry as an intermediate in drug synthesis. It is also utilized in the polymer industry for the development of advanced materials and in the production of sensors and semiconductors for their electronic properties.

What precautions should be taken when handling 4-(4-Chlorophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinecarboxylic acid (CAS: 644981-94-2)?

Proper personal protective equipment (PPE) is essential when handling 4-(4-Chlorophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinecarboxylic acid. Wear gloves, safety goggles, and a lab coat. Ensure the substance is handled in a well-ventilated area or a fume hood. Spills should be immediately addressed by neutralizing with an appropriate base and cleaning up with absorbent material. Refer to the Safety Data Sheet (SDS) for detailed information and emergency procedures.

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