4-[2-Hydroxy-3-(isopropylamino)propoxy]benzoic acid | CAS No. 72570-70-8

4-[2-Hydroxy-3-(isopropylamino)propoxy]benzoic acid

Basic Information

CAS Number

72570-70-8

Molecular Formula

C13H19NO4

Molecular Weight

253.3 g/mol

AD

Basic Physical Properties

Melting Point

253-255?C

CC(C)NCC(COC1=CC=C(C=C1)C(=O)O)O

InChI

InChI=1S/C13H19NO4/c1-9(2)14-7-11(15)8-18-12-5-3-10(4-6-12)13(16)17/h3-6,9,11,14-15H,7-8H2,1-2H3,(H,16,17)

InChIKey

WONQRVASZHJNFS-UHFFFAOYSA-N

LogP

1.1225

Topological Polar Surface Area

78.79 Ų

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

249

Synonyms & References

English

  • 72570-70-8
  • NS00003532
  • 4-{2-Hydroxy-3-[(propan-2-yl)amino]propoxy}benzoic acid
  • 4-(2-HYDROXY-3-ISOPROPYL-AMINOPROPOXY)BENZOIC ACID (<5%)
  • CHEMBL769
  • 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzoic acid
  • 4-(2-Hydroxy-3-isopropylaminopropoxy)benzoic Acid (Bisoprolol Metabolite)
  • AS7314B2NH
  • FT-0669695
  • Benzoic acid,4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-
  • H 112/02
  • Benzoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-
  • DTXSID70501817
  • Bisoprolol (m3)
  • UNII-AS7314B2NH
  • AKOS030255735
  • 4-(2-HYDROXY-3-ISOPROPYLAMINOPROPOXY)BENZOIC ACID
  • Des(isopropoxyethyl) bisoprolol acid
  • 4-(2-Hydroxy-3-isopropylaminopropoxy)benzoic acid(bisoprolol metabolite)
  • Bisoprolol metabolite M3 4-(2-Hydroxy-3-isopropylaminopropoxy)benzoic acid
  • 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzoic acid
  • Q27274098
  • H-112/02
  • 4-(2-Hydroxy-3-isopropylaminopropoxy)benzoic Acid
  • BISOPROLOL BENZOIC ACID IMPURITY
  • 4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzoic Acid
  • Benzoic acid,4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]
  • H 112
  • 4-(2-hydroxy-3-(isopropylamino)propoxy)benzoic acid

MDL Number

MFCD16251408

FAQ

What are the physical and chemical properties of 4-[2-Hydroxy-3-(isopropylamino)propoxy]benzoic acid (CAS: 72570-70-8)?

4-[2-Hydroxy-3-(isopropylamino)propoxy]benzoic acid is a white crystalline solid with a molecular weight of approximately 319.41 g/mol. It is slightly soluble in water and has good solubility in organic solvents like methanol and ethanol. Its reactivity is moderate, with potential for esterification and other functional group modifications. It is stable under normal storage conditions but may react with strong acids or bases.

How is 4-[2-Hydroxy-3-(isopropylamino)propoxy]benzoic acid (CAS: 72570-70-8) typically synthesized?

4-[2-Hydroxy-3-(isopropylamino)propoxy]benzoic acid is synthesized by first preparing the corresponding 3-(isopropylamino)propyl chloride from isopropylamine and chloropropanol. This halide is then reacted with 2-hydroxybenzoic acid in the presence of a base like triethylamine to form the desired acid. The reaction is carried out under mild conditions to ensure high yield and selectivity.

What industries use 4-[2-Hydroxy-3-(isopropylamino)propoxy]benzoic acid (CAS: 72570-70-8)?

4-[2-Hydroxy-3-(isopropylamino)propoxy]benzoic acid is primarily used in the pharmaceutical industry for the synthesis of drug intermediates. It also finds applications in the polymer industry for developing new materials with specific properties. Additionally, it is used in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 4-[2-Hydroxy-3-(isopropylamino)propoxy]benzoic acid (CAS: 72570-70-8)?

Proper personal protective equipment (PPE) should be worn when handling 4-[2-Hydroxy-3-(isopropylamino)propoxy]benzoic acid, including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or under a fume hood to avoid inhalation of vapors. In case of spill, absorb with an appropriate material and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions.

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