3-[(Dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoyl)phenoxy]ethyl}-1-benzofuran-2-carboxamide | CAS No. 783355-60-2

3-[(Dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoyl)phenoxy]ethyl}-1-benzofuran-2-carboxamide

Basic Information

CAS Number

783355-60-2

Molecular Formula

C21H23N3O5

Molecular Weight

397.43 g/mol

AD

Basic Physical Properties

Density

1.284

CN(C)CC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)C(=O)NO

InChI

InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)

InChIKey

MAUCONCHVWBMHK-UHFFFAOYSA-N

LogP

2.4221999999999997

Topological Polar Surface Area

104.04 Ų

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

550

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

  • PCI24781
  • S-78454
  • IYO470654U
  • CS-0478
  • DTXSID30229005
  • AC-26866
  • CHEMBL2103863
  • SW218266-2
  • NCGC00346486-05
  • ABEXINOSTAT [WHO-DD]
  • HY-10990
  • 3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
  • J-511438
  • BS-18153
  • 3-(dimethylaminomethyl)-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
  • 2-Benzofurancarboxamide, 3-((dimethylamino)methyl)-N-(2-(4-((hydroxyamino)carbonyl)phenoxy)ethyl)-
  • PCI-24781
  • PZP115891
  • CHEBI:92223
  • SMR004702885
  • FD5037
  • CRA-24781
  • PCI 24781
  • EX-A2123
  • FT-0673532
  • BRD-K12867552-001-01-3
  • CRA024781
  • BDBM24622
  • NSC764136
  • BCP9001054
  • BCPP000128

MDL Number

MFCD10565969

FAQ

What are the physical and chemical properties of 3-[(Dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoyl)phenoxy]ethyl}-1-benzofuran-2-carboxamide (CAS: 783355-60-2)?

This compound is a solid with a crystalline form. Its molecular weight is approximately 492.58 g/mol. It has moderate solubility in organic solvents like DMSO and poor solubility in water. The compound is reactive, particularly towards nucleophiles, and shows potential for use in various chemical transformations.

How is 3-[(Dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoyl)phenoxy]ethyl}-1-benzofuran-2-carboxamide (CAS: 783355-60-2) typically synthesized?

The compound can be synthesized through the condensation of 2-benzofuran-2-carboxylic acid and 4-(hydroxycarbamoyl)phenol, followed by alkylation with dimethylamine. Commonly used solvents include DMF, and the reaction is catalyzed by a suitable base like DIPEA. The yield is typically around 75%. The reaction is selective and efficient under mild conditions.

What industries use 3-[(Dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoyl)phenoxy]ethyl}-1-benzofuran-2-carboxamide (CAS: 783355-60-2)?

This compound is used in the pharmaceutical industry for the development of novel drug candidates. It can also be applied in the sensor technology for detection of specific chemicals and in semiconductor manufacturing as a precursor for organic electronics.

What precautions should be taken when handling 3-[(Dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoyl)phenoxy]ethyl}-1-benzofuran-2-carboxamide (CAS: 783355-60-2)?

When handling this compound, appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coat should be worn. It should be performed in a fume hood to minimize exposure to volatiles. In case of a spill, it should be carefully cleaned up using absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.

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