(E)-N-(2-amino-4-fluorophenyl)-3-(1-cinnamyl-1H-pyrazol-4-yl)acrylamide

Basic Information

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CAS Number

1357389-11-7

Molecular Formula

C21H19FN4O

Molecular Weight

362.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Off-white

Boiling Point

630.4±55.0 °C(Predicted)

Density

1.19±0.1 g/cm3(Predicted)

Solubility

Soluble in DMSO (up to 20 mg/ml)

SMILES

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C1=CC=C(C=C1)C=CCN2C=C(C=N2)C=CC(=O)NC3=C(C=C(C=C3)F)N

InChI

InChI=1S/C21H19FN4O/c22-18-9-10-20(19(23)13-18)25-21(27)11-8-17-14-24-26(15-17)12-4-7-16-5-2-1-3-6-16/h1-11,13-15H,12,23H2,(H,25,27)/b7-4+,11-8+

InChIKey

BLVQHYHDYFTPDV-VCABWLAWSA-N

LogP

3.9697000000000022

pKa

11.58±0.70(Predicted)

Topological Polar Surface Area

72.94 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

532

Safety Information

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Stability

Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 1 month.

Synonyms & References

English

RGFP 966
RGFP966
RGFP-966
(2E)-N-(2-Amino-4-fluorophenyl)-3-[1-(3-phenyl-2-propen-1-yl)-1H-pyrazol-4-yl]-2-propenamide
RGFP966, >=98%
(E/Z)-RGFP 966
RGFP-966
CS-871
(2E)-N-(2-Amino-4-fluorophenyl)-3-{1-[(2E)-3-phenyl-2-propen-1-yl ]-1H-pyrazol-4-yl}acrylamide
(E)-N-(2-Amino-4-fluorophenyl)-3-(1-cinnAmyl-1H-pyrazol-4-yl)acrylamide
(E)-N-(1-phenylhept-1-en-3-yl)aniline
2-Propenamide, N-(2-amino-4-fluorophenyl)-3-[1-(3-phenyl-2-propen-1-yl)-1H-pyrazol-4-yl]-, (2E)-
Benzenamine,N-[1-(2-phenylethenyl)pentyl]
SCHEMBL12497871
WFC84157
(2E)-N-(2-amino-4-fluorophenyl)-3-{1-[(2E)-3-phenylprop-2-en-1-yl]-1H-pyrazol-4-yl}prop-2-enamide
(2E)-N-(2-amino-4-fluorophenyl)-3-[1-(3-phenylprop-2-en-1-yl)-1H-pyrazol-4-yl]prop-2-enamide
Q27088541
CCG-268194
AC-35512
1396841-57-8
DTXSID801026037
HY-W019710
AMY10860
NCGC00381560-10
AS-77803
1357389-11-7
GTPL7500
AKOS030526449
A922278
(E)-N-(2-amino-4-fluorophenyl)-3-(1-cinnamyl-1H-pyrazol-4-yl)acrylamide

MDL Number

MFCD26960954

FAQ

What are the physical and chemical properties of (E)-N-(2-amino-4-fluorophenyl)-3-(1-cinnamyl-1H-pyrazol-4-yl)acrylamide (CAS: 1357389-11-7)?

(E)-N-(2-amino-4-fluorophenyl)-3-(1-cinnamyl-1H-pyrazol-4-yl)acrylamide (CAS: 1357389-11-7) is a crystalline solid with a molecular weight of approximately 431.3 g/mol. It has a low solubility in water but is soluble in organic solvents like DMSO and DMF. Chemically, it is relatively stable but reactive towards nucleophiles. It exhibits good reactivity in the presence of strong bases or reducing agents.

How is (E)-N-(2-amino-4-fluorophenyl)-3-(1-cinnamyl-1H-pyrazol-4-yl)acrylamide (CAS: 1357389-11-7) typically synthesized?

(E)-N-(2-amino-4-fluorophenyl)-3-(1-cinnamyl-1H-pyrazol-4-yl)acrylamide (CAS: 1357389-11-7) is synthesized through a multi-step process involving the coupling of an amino phenyl derivative with a cinnamyl pyrazole. Commonly, this is achieved using palladium catalysis under mild conditions. The synthesis typically yields a high purity product with good selectivity and moderate to high yield depending on the specific reaction conditions.

What industries use (E)-N-(2-amino-4-fluorophenyl)-3-(1-cinnamyl-1H-pyrazol-4-yl)acrylamide (CAS: 1357389-11-7)?

(E)-N-(2-amino-4-fluorophenyl)-3-(1-cinnamyl-1H-pyrazol-4-yl)acrylamide (CAS: 1357389-11-7) is primarily used in the pharmaceutical industry for its potential as an intermediate in drug synthesis. It is also explored in polymer chemistry for its functional groups, which can aid in the development of new materials. Its use in sensors and semiconductor applications is also being investigated due to its chemical reactivity and functional diversity.

What precautions should be taken when handling (E)-N-(2-amino-4-fluorophenyl)-3-(1-cinnamyl-1H-pyrazol-4-yl)acrylamide (CAS: 1357389-11-7)?

When handling (E)-N-(2-amino-4-fluorophenyl)-3-(1-cinnamyl-1H-pyrazol-4-yl)acrylamide (CAS: 1357389-11-7), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials. In case of eye or skin contact, flush with copious amounts of water and seek medical attention. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.