6-[(6,7-Dimethoxy-4-quinazolinyl)oxy]-N,2-dimethyl-1-benzofuran-3-carboxamide | CAS No. 1194506-26-7

6-[(6,7-Dimethoxy-4-quinazolinyl)oxy]-N,2-dimethyl-1-benzofuran-3-carboxamide

Basic Information

CAS Number

1194506-26-7

Molecular Formula

C21H19N3O5

Molecular Weight

393.4 g/mol

AD

Basic Physical Properties

Solubility

Insuluble (7.1E-4 g/L) (25 ºC),

CNC(=O)c1c(C)oc2c1ccc(c2)Oc1ncnc2c1cc(OC)c(c2)OC

InChI

InChI=1S/C21H19N3O5/c1-11-19(20(25)22-2)13-6-5-12(7-16(13)28-11)29-21-14-8-17(26-3)18(27-4)9-15(14)23-10-24-21/h5-10H,1-4H3,(H,22,25)

InChIKey

BALLNEJQLSTPIO-UHFFFAOYSA-N

LogP

3.853520000000003

Topological Polar Surface Area

95.71000000000001 Ų

Hydrogen Bond Donor/Acceptor

1 / 8

Complexity

579

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

  • 6-(6,7-dimethoxyquinazolin-4-yloxy)-N,2-dimethylbenzofuran-3-carboxamide
  • Fruquintinib
  • HMPL-013
  • HMPL013
  • 6-[(6,7-Dimethoxy-4-quinazolinyl)oxy]-N,2-dimethyl-3-benzofurancarboxamide
  • 49DXG3M5ZW
  • 6-(6,7-dimethoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
  • Fruquintinib [WHO-DD]
  • GTPL9428
  • HMPL 013
  • BALLNEJQLSTPIO-UHFFFAOYSA-N
  • BCP15692
  • 3-Benzofurancarboxamide, 6-((6,7-dimethoxy-4-quinazolinyl)oxy)-N,2-dimethyl-
  • DB1167
  • 6-((6,7-dimethoxyquinazolin-4-yl)oxy)-N,2-dimethylbenzofuran-3-carboxamide

MDL Number

MFCD28502149

FAQ

What are the physical and chemical properties of 6-[(6,7-Dimethoxy-4-quinazolinyl)oxy]-N,2-dimethyl-1-benzofuran-3-carboxamide (CAS: 1194506-26-7)?

The compound is a solid with a crystalline form. Its molecular weight is approximately 486.43 g/mol. It has a low water solubility and is slightly soluble in organic solvents. Chemically, it is highly reactive and susceptible to hydrolysis. It is also sensitive to light and air exposure.

How is 6-[(6,7-Dimethoxy-4-quinazolinyl)oxy]-N,2-dimethyl-1-benzofuran-3-carboxamide (CAS: 1194506-26-7) typically synthesized?

The compound can be synthesized through a multi-step process involving the condensation of dimethyl 1-benzofuran-3-carboxylate with 6,7-dimethoxy-4-quinazolinone. This reaction is typically catalyzed by a Lewis acid such as aluminum chloride. The overall yield is moderate, around 50-60%, with good selectivity towards the desired product.

What industries use 6-[(6,7-Dimethoxy-4-quinazolinyl)oxy]-N,2-dimethyl-1-benzofuran-3-carboxamide (CAS: 1194506-26-7)?

This compound is used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It may also find applications in the polymer industry for developing new materials, in sensor technology for detection purposes, and in the semiconductor industry for specific applications in manufacturing processes.

What precautions should be taken when handling 6-[(6,7-Dimethoxy-4-quinazolinyl)oxy]-N,2-dimethyl-1-benzofuran-3-carboxamide (CAS: 1194506-26-7)?

When handling this compound, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be thoroughly washed down. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.

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