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N-Acetyl-L-tyrosinamide

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Name

N-Acetyl-L-tyrosinamide

EINECS 217-756-4
CAS No. 1948-71-6 Density 1.253 g/cm3
PSA 92.42000 LogP 1.01590
Solubility N/A Melting Point 223-225 °C(lit.)
Formula C11H14N2O3 Boiling Point 459.53 °C at 760 mmHg
Molecular Weight 222.244 Flash Point 231.716 °C
Transport Information N/A Appearance white crystalline powder
Safety 22-24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1948-71-6 (AC-TYR-NH2) Hazard Symbols IrritantXi
Synonyms

Benzenepropanamide, α-(acetylamino)-4-hydroxy-, (αS)-;Hydrocinnamamide, a-acetamido-p-hydroxy-, L- (8CI);N-Acetyl-4-hydroxy-L-phenylalaninamide;NAYA;

Article Data 5

N-Acetyl-L-tyrosinamide Synthetic route

840-97-1

N-acetyl-L-tyrosine ethyl ester

1948-71-6

N-acetyl-L-tryrosinamide

Conditions
ConditionsYield
With methanol; ammonia
2440-79-1

N-acetyl-L-tyrosine methyl ester

1948-71-6

N-acetyl-L-tryrosinamide

Conditions
ConditionsYield
With ammonia at -40℃;
With ammonia
100927-21-7

DL-tryptophanamide radical

N-acetyl-L-tryrosinamide anion

A

1948-71-6

N-acetyl-L-tryrosinamide

B

DL-tryptophanamide anion

Conditions
ConditionsYield
at 20℃; Rate constant; one-electron redox reactions;
1080-06-4

L-Tyr-OMe

1948-71-6

N-acetyl-L-tryrosinamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: acetic acid
2: methanol. NH3
View Scheme
60-18-4

L-tyrosine

1948-71-6

N-acetyl-L-tryrosinamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydroxide / water; 1,4-dioxane / 0 - 20 °C
2: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap; N-ethyl-N,N-diisopropylamine; ammonium chloride / N,N-dimethyl-formamide / 0 - 20 °C
View Scheme
537-55-3

N-acetyl-L-tyrosine

1948-71-6

N-acetyl-L-tryrosinamide

Conditions
ConditionsYield
With dmap; ammonium chloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0 - 20℃;
1948-71-6

N-acetyl-L-tryrosinamide

18162-48-6

tert-butyldimethylsilyl chloride

503157-91-3

N-α-acetyl-O-(tert-butyl(dimethyl)silyl)-L-tyrosinamide

Conditions
ConditionsYield
With pyridine; 1H-imidazole for 4h;93%
1948-71-6

N-acetyl-L-tryrosinamide

2106-10-7

1-deoxy-1-fluoro-α-D-glucose

C17H24N2O8

Conditions
ConditionsYield
With calcium hydroxide In water at 20℃; for 1h;91%
1948-71-6

N-acetyl-L-tryrosinamide

Ac-Dityr-NH2

Conditions
ConditionsYield
With dihydrogen peroxide; horseradish peroxidase In various solvent(s) pH=9.4; Enzymatic reaction;90%
1948-71-6

N-acetyl-L-tryrosinamide

(S)-N-[1-cyano-2-(4-hydroxyphenyl)ethyl]acetamide

Conditions
ConditionsYield
With palladium(II) trifluoroacetate; dichloroacetonitrile; water In acetonitrile at 60℃; for 5h; Schlenk technique; Inert atmosphere;79%

N-Acetyl-L-tyrosinamide Specification

N-Acetyl-L-tyrosinamide is an organic compound with the formula C11H14N2O3, and its systematic name is the same with the product name. With the CAS registry number 1948-71-6, it is also named as N-Acetyl-4-hydroxy-L-phenylalaninamide. It belongs to the product categories of Amino Acids; Amino Acid Derivatives. Its EINECS number is 217-756-4. In addition, the molecular weight is 222.24. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from strong oxidants. It is used in biochemical research, and it is also uesed in the determination of chymotrypsin substrate.

Physical properties of N-Acetyl-L-tyrosinamide are: (1)ACD/LogP: -1.391; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.64; (4)ACD/LogD (pH 7.4): -1.48; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 3.42; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 92.42 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 58.73 cm3; (15)Molar Volume: 177.31 cm3; (16)Polarizability: 23.283×10-24cm3; (17)Surface Tension: 54.94 dyne/cm; (18)Density: 1.253 g/cm3; (19)Flash Point: 231.716 °C; (20)Enthalpy of Vaporization: 74.765 kJ/mol; (21)Boiling Point: 459.53 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. You should not breathe dust. When using it, you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(C[C@H](N)C(=O)NC(C)=O)cc1
(2)Std. InChI: InChI=1S/C11H14N2O3/c1-7(14)13-11(16)10(12)6-8-2-4-9(15)5-3-8/h2-5,10,15H,6,12H2,1H3,(H,13,14,16)/t10-/m0/s1
(3)Std. InChIKey: UECDWMGGNAYEKF-JTQLQIEISA-N

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