2-(4-(2-(Trifluoromethyl)phenyl)piperidine-1-carboxamido)benzoic acid | CAS No. 1152782-19-8

2-(4-(2-(Trifluoromethyl)phenyl)piperidine-1-carboxamido)benzoic acid

Basic Information

CAS Number

1152782-19-8

Molecular Formula

C20H19F3N2O3

Molecular Weight

392.38 g/mol

AD

Basic Physical Properties

C1CN(CCC1C2=CC=CC=C2C(F)(F)F)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H19F3N2O3/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(28)24-17-8-4-2-6-15(17)18(26)27/h1-8,13H,9-12H2,(H,24,28)(H,26,27)

InChIKey

MEAQCLPMSVEOQF-UHFFFAOYSA-N

LogP

4.815100000000004

Topological Polar Surface Area

69.64 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

561

Synonyms & References

English

  • 2-[({4-[2-(Trifluoromethyl)phenyl]-1-piperidinyl}carbonyl)amino]b enzoic acid
  • A 1120
  • NS00072593
  • A1120?
  • BRD-K59060513-001-01-7
  • SCHEMBL1230989
  • 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid
  • A1120
  • DA-60639
  • 2-{4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonylamino}benzoic acid
  • NCGC00370977-01
  • 1152782-19-8
  • 2-(4-(2-(Trifluoromethyl)phenyl)piperidine-1-carboxamido)benzoic acid
  • BS-52649
  • A1120, >=98% (HPLC), powder
  • GTPL8792
  • compound 33 [PMID: 24835984]
  • CHEMBL1230001
  • HY-107633
  • HMS3743G05
  • 2-[[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]amino]benzoic acid
  • BDBM50019040
  • A-1120
  • 2-(4-(2-(trifluoromethyl)phenyl)piperidine-1-carboxamido) benzoic acid
  • D81163
  • Q27074049
  • DB06985
  • CS-0029033
  • AKOS024457802
  • CWB78219
  • 2T1

MDL Number

MFCD12912393

FAQ

What are the physical and chemical properties of 2-(4-(2-(Trifluoromethyl)phenyl)piperidine-1-carboxamido)benzoic acid (CAS: 1152782-19-8)?

2-(4-(2-(Trifluoromethyl)phenyl)piperidine-1-carboxamido)benzoic acid is a crystalline solid with a molecular weight of approximately 497.35 g/mol. It has a low solubility in water (0.01 g/100 mL at 25°C) and moderate solubility in organic solvents such as methanol and dimethylformamide. This compound is reactive towards hydrolysis and can undergo esterification and amide formation under appropriate conditions. It is stable under normal storage conditions but should be protected from moisture and light.

How is 2-(4-(2-(Trifluoromethyl)phenyl)piperidine-1-carboxamido)benzoic acid (CAS: 1152782-19-8) typically synthesized?

2-(4-(2-(Trifluoromethyl)phenyl)piperidine-1-carboxamido)benzoic acid is typically synthesized via the condensation of 2-(2-(Trifluoromethyl)phenyl)piperidine-1-carboxylic acid and benzoyl chloride in the presence of a catalytic amount of a tertiary amine such as N,N'-dimethylaminopyridine. The reaction is carried out in a suitable organic solvent like dichloromethane or toluene, and the product is isolated via recrystallization from a suitable solvent. The yield is generally around 70-80%, and the method is selective and practical for preparative purposes.

What industries use 2-(4-(2-(Trifluoromethyl)phenyl)piperidine-1-carboxamido)benzoic acid (CAS: 1152782-19-8)?

2-(4-(2-(Trifluoromethyl)phenyl)piperidine-1-carboxamido)benzoic acid is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drug candidates. It has also found applications in the polymer industry as a functional monomer, and in the sensor industry for the development of gas sensors. Its unique chemical structure makes it a valuable compound in research and development for its potential in various fields.

What precautions should be taken when handling 2-(4-(2-(Trifluoromethyl)phenyl)piperidine-1-carboxamido)benzoic acid (CAS: 1152782-19-8)?

When handling 2-(4-(2-(Trifluoromethyl)phenyl)piperidine-1-carboxamido)benzoic acid, appropriate personal protective equipment (PPE) should be worn, including safety goggles, gloves, and a lab coat. The compound should be stored in a cool, dry place, away from direct sunlight. Fume hoods should be used when performing operations that may release vapors. In case of a spill, the area should be immediately flushed with water, and the spill should be cleaned up using an appropriate absorbent material. Always refer to the Material Safety Data Sheet (MSDS) for specific safety and handling guidelines.

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...