2-[4-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropanoic acid | CAS No. 83799-24-0

2-[4-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropanoic acid

Basic Information

CAS Number

83799-24-0

Molecular Formula

C32H39NO4

Molecular Weight

501.67 g/mol

AD

Basic Physical Properties

Melting Point

218-220°C

Boiling Point

697.3°C at 760 mmHg

CC(C)(C(=O)O)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4

InChI

InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)

InChIKey

RWTNPBWLLIMQHL-UHFFFAOYSA-N

LogP

5.510500000000007

Topological Polar Surface Area

81.0 Ų

Hydrogen Bond Donor/Acceptor

3 / 5

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

  • Fexofenadine
  • terfenidine carboxylate
  • 2-(4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-piperidin-1-yl)butyl)phenyl)-2-methylpropanoic acid
  • CARBOXYTERFENADINE
  • Fexafenadine
  • Fexofenadinebase
  • Fexofenadine-D5
  • Terfenadine acid
  • TERFENADINECARBOXYLATE
  • 4-[1-Hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-alpha,alpha-dimethylbenzeneacetic acid

MDL Number

MFCD00871892

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-[4-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropanoic acid (CAS: 83799-24-0)?

2-[4-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropanoic acid is a white crystalline solid with a molecular weight of approximately 644.5 g/mol. It exhibits moderate solubility in common organic solvents like methanol and ethanol. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions. It does not readily decompose under normal conditions but may degrade upon prolonged exposure to heat or light.

How is 2-[4-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropanoic acid (CAS: 83799-24-0) typically synthesized?

2-[4-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropanoic acid is synthesized via a multi-step route involving the formation of a piperidine ring, subsequent coupling reactions, and esterification. Common synthetic methods include the use of coupling agents like HATU and selective esterification under mild conditions. The yield is typically around 70-80%, and the reaction proceeds with good selectivity.

What industries use 2-[4-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropanoic acid (CAS: 83799-24-0)?

2-[4-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropanoic acid is primarily used in the pharmaceutical industry for its potential as a drug candidate. It can also find applications in the synthesis of certain polymers and as a sensor material due to its unique chemical structure. Its properties make it suitable for use in semiconductors as well, although its application in this field is less common.

What precautions should be taken when handling 2-[4-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropanoic acid (CAS: 83799-24-0)?

When handling 2-[4-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropanoic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be carefully cleaned up using appropriate absorbent materials, and the area should be thoroughly rinsed. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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