ChemicalBook--->CAS DataBase List--->5469-45-4

5469-45-4

5469-45-4 Structure

5469-45-4 Structure
IdentificationMore
[Name]

2-(Acetylamino)-3-phenyl-2-propenoic acid
[CAS]

5469-45-4
[Synonyms]

2-ACETAMIDO-CINNAMIC ACID
(2Z)-2-(ACETYLAMINO)-3-PHENYLACRYLIC ACID
A-ACETAMIDOCINNAMIC ACID
A-ACETAMINOCINNAMIC ACID
AC-2,3-DEHYDRO-PHE-OH
AC-ALPHA,BETA-DEHYDRO-L-PHENYLALANINE
AC-DHA(2-PHE)-OH
AC-DHP-OH
ACETAMIDOCINNAMIC ACID
ACETYL DEHYDROPHENYLALANINE
ALPHA-ACETAMIDOCINNAMIC ACID
ALPHA-ACETAMINOCINNAMIC ACID
ALPHA-ACETOAMINOCINNAMIC ACID
LABOTEST-BB LT00645501
N-ACETYLDEHYDROPHENYLALANINE
N-ALPHA-ACETYL-DEHYDROPHENYLALANINE
(2Z)-2-(Acetylamino)-3-phenyl-2-propenoic acid
2-Propenoic acid, 2-(acetylamino)-3-phenyl-
3-Phenyl-2-acetylaminoprop-2-enoic acid
alpha-Acetoamidocinnamic acid
[EINECS(EC#)]

226-795-6
[Molecular Formula]

C11H11NO3
[MDL Number]

MFCD00008680
[Molecular Weight]

205.21
[MOL File]

5469-45-4.mol
Chemical PropertiesBack Directory
[Melting point ]

188-190 °C(lit.)
[Boiling point ]

455.4±45.0 °C(Predicted)
[density ]

1.32 g/cm3
[storage temp. ]

2-8°C
[solubility ]

methanol: soluble100mg/mL, clear, yellow-green
[form ]

Solid
[pka]

3.52±0.10(Predicted)
[color ]

White
[Usage]

A protein kinase C inhibitor
[BRN ]

1912549
[InChIKey]

XODAOBAZOQSFDS-JXMROGBWSA-N
[CAS DataBase Reference]

5469-45-4(CAS DataBase Reference)
[NIST Chemistry Reference]

«alpha»-Acetamidocinnamic acid(5469-45-4)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/38:Irritating to eyes and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

2924297099
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Diethyl ether-->Sulfuric acid-->Acetic anhydride-->Sodium acetate-->Benzaldehyde-->Glycine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

alpha-Acetamidocinnamic acid(5469-45-4).msds
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

A protein kinase C inhibitor
[Uses]

test substance for asymmetric hydrogenations
[Synthesis Reference(s)]

Tetrahedron Letters, 24, p. 4603, 1983 DOI: 10.1016/S0040-4039(00)85967-5
Synthesis, p. 418, 1984 DOI: 10.1055/s-1984-30859
[Purification Methods]

It crystallises from H2O as the dihydrate, and on drying at 100o it forms the anhydrous compound which is hygroscopic. Alkaline hydrolysis yields NH3
Spectrum DetailBack Directory
[Spectrum Detail]

2-(Acetylamino)-3-phenyl-2-propenoic acid(5469-45-4)MS
2-(Acetylamino)-3-phenyl-2-propenoic acid(5469-45-4)1HNMR
2-(Acetylamino)-3-phenyl-2-propenoic acid(5469-45-4)13CNMR
2-(Acetylamino)-3-phenyl-2-propenoic acid(5469-45-4)IR1
2-(Acetylamino)-3-phenyl-2-propenoic acid(5469-45-4)IR2
2-(Acetylamino)-3-phenyl-2-propenoic acid(5469-45-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

5469-45-4(sigmaaldrich)
[TCI AMERICA]

alpha-Acetamidocinnamic Acid,>98.0%(T)(5469-45-4)
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