(2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylacrylamide | CAS No. 130929-57-6

(2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylacrylamide

Basic Information

CAS Number

130929-57-6

Molecular Formula

C14H15N3O5

Molecular Weight

305.29 g/mol

AD

Basic Physical Properties

Melting Point

162-166°C

Boiling Point

526.6°C at 760 mmHg

Density

1.392g/cm3

Flash Point

272.3ºC

Solubility

DMSO: soluble20mg/mL, clear

Refractive Index

1.641

CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+

InChIKey

JRURYQJSLYLRLN-BJMVGYQFSA-N

LogP

2.30458

pKa

pKa ~4.5(at 25℃)

Complexity

500

Safety Information

View Safety Information

Hazard Statement

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
H413 May cause long lasting harmful effects to aquatic life
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

  • s3147
  • BCP9000645
  • ENTACAPONE [INN]
  • UNII-4975G9NM6T
  • Entacaponum (INN-Latin)
  • SW199035-2
  • Entacom
  • HMS3885K09
  • SR-05000001452-1
  • NCGC00164555-03
  • 2-cyano-3-(5-dihydroxyamino-3,4-dioxo-1-cyclohexa-1,5-dienyl)-N,N-diethyl-prop-2-enamide
  • (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide
  • Tox21_112184
  • A806167
  • DTXSID5046439
  • Entacapone orion
  • Entacapona (INN-Spanish)
  • D00781
  • (E)-alpha-Cyano-N,N-diethyl-3,4-dihydroxy-5-nitrocinnamamide
  • C07943
  • AKOS015965009
  • GTPL6647
  • 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-n,n-diethyl-2-propenamide
  • ENTACAPONE [EMA EPAR]
  • 4975G9NM6T
  • Entacapona
  • AKOS015907685
  • (E)-2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)-N,N-diethyl-prop-2-enamide
  • ENTACAPONE (EP MONOGRAPH)
  • ENTACAPONE [VANDF]
  • AB01275450_03

MDL Number

MFCD00869878

Customs Code

2942000000

FAQ

What is (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylacrylamide (CAS: 130929-57-6)?

The compound (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylacrylamide (CAS: 130929-57-6) is an organic compound featuring a cyano group, a nitrophenyl ring with hydroxyl substituents, and diethylamino groups. It is commonly used in chemical research and has a molecular formula of C15H16N2O5. This compound is typically a yellow solid with moderate solubility in organic solvents and is known for its stability under normal conditions.

What are the main uses of (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylacrylamide (CAS: 130929-57-6)?

The compound (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylacrylamide (CAS: 130929-57-6) is primarily used in pharmaceutical research as a potential intermediate for drug development. It also finds applications in the synthesis of various organic compounds and may be used in industrial processes. Due to its chemical structure, it is of interest in the study of biological activity and functional group reactivity.

Is (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylacrylamide (CAS: 130929-57-6) safe?

The safety of (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylacrylamide (CAS: 130929-57-6) depends on exposure conditions. It is generally considered safe when handled properly, but it may exhibit mild toxicity if inhaled or ingested. Protective measures such as gloves, goggles, and proper ventilation are recommended. Always follow safety standards and guidelines for chemical handling to ensure workplace and environmental safety.

How should (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylacrylamide (CAS: 130929-57-6) be stored?

To ensure stability and safety, (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylacrylamide (CAS: 130929-57-6) should be stored in a cool, dry, and dark place. It is best kept in a sealed container at temperatures below 25°C to prevent degradation. Avoid exposure to moisture and direct sunlight, and store away from incompatible substances to maintain its chemical integrity.

Related Compounds

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...