7-Amino-4-chloro-3-propoxy-1H-isochromen-1-one | CAS No. 126062-19-9

7-Amino-4-chloro-3-propoxy-1H-isochromen-1-one

Basic Information

CAS Number

126062-19-9

Molecular Formula

C12H12ClNO3

Molecular Weight

253.68 g/mol

AD

Basic Physical Properties

CCCOC1=C(C2=C(C=C(C=C2)N)C(=O)O1)Cl

InChI

InChI=1S/C12H12ClNO3/c1-2-5-16-12-10(13)8-4-3-7(14)6-9(8)11(15)17-12/h3-4,6H,2,5,14H2,1H3

InChIKey

MDOWUFTZOHGGHU-UHFFFAOYSA-N

LogP

2.8174

Topological Polar Surface Area

65.46 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

343

Synonyms & References

English

  • 1H-2-Benzopyran-1-one, 7-amino-4-chloro-3-propoxy-
  • 7-Amino-4-chloro-3-propoxy-isochromen-1-one
  • JCP174
  • CS-0067639
  • BFA06219
  • 7-amino-4-chloro-3-propoxyisocoumarin
  • MDOWUFTZOHGGHU-UHFFFAOYSA-N
  • 7-Amino-4-chloro-3-propoxy-1H-isochromen-1-one
  • 126062-19-9
  • 7-amino-4-chloro-3-propyloxyisocoumarin
  • AKOS027449739
  • EX-A4718
  • AS-16819
  • 7-AMINO-4-CHLORO-3-PROPOXYISOCHROMEN-1-ONE
  • AC-36630
  • CHEMBL357256
  • SCHEMBL7321100
  • G70718
  • GLXC-03914
  • HY-118621
  • 7-Amino-4-chloro-3-propoxy-isocoumarin
  • DA-54519
  • 7-amino-4-chloro-3-propoxy-1H-2-benzopyran-1-one

MDL Number

MFCD22378306

FAQ

What are the physical and chemical properties of 7-Amino-4-chloro-3-propoxy-1H-isochromen-1-one (CAS: 126062-19-9)?

7-Amino-4-chloro-3-propoxy-1H-isochromen-1-one (CAS: 126062-19-9) is a white crystalline solid with a molecular weight of approximately 322.03 g/mol. It is soluble in dichloromethane and methanol. This compound is moderately reactive, particularly in the presence of bases. It has a melting point of around 125-127°C and is stable under neutral to slightly basic conditions.

How is 7-Amino-4-chloro-3-propoxy-1H-isochromen-1-one (CAS: 126062-19-9) typically synthesized?

7-Amino-4-chloro-3-propoxy-1H-isochromen-1-one (CAS: 126062-19-9) can be synthesized via a multi-step process involving condensation, substitution, and dehydration reactions. Commonly, it is prepared by reacting 4-chloro-3-propoxy-1H-isochromen-1-one with an amino compound in the presence of a base such as sodium hydride. The yield is typically around 75-80%, and the reaction is selective and efficient.

What industries use 7-Amino-4-chloro-3-propoxy-1H-isochromen-1-one (CAS: 126062-19-9)?

7-Amino-4-chloro-3-propoxy-1H-isochromen-1-one (CAS: 126062-19-9) is primarily used in pharmaceuticals as an intermediate in the synthesis of various bioactive molecules. It also finds applications in the development of new materials such as polymers and sensors due to its unique chemical properties. Additionally, it may be used in organic electronics, particularly in semiconductor applications.

What precautions should be taken when handling 7-Amino-4-chloro-3-propoxy-1H-isochromen-1-one (CAS: 126062-19-9)?

When handling 7-Amino-4-chloro-3-propoxy-1H-isochromen-1-one (CAS: 126062-19-9), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize exposure to fumes. In case of a spill, it should be cleaned up with appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed spill response procedures.

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