Product Name

  • Name

    AC-TYR-NH2

  • EINECS 217-756-4
  • CAS No. 1948-71-6
  • Article Data5
  • CAS DataBase
  • Density 1.253 g/cm3
  • Solubility
  • 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
  • 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;
  • PSA 92.42000
  • LogP 1.01590

Synthetic route

N-acetyl-L-tyrosine ethyl ester
840-97-1

N-acetyl-L-tyrosine ethyl ester

N-acetyl-L-tryrosinamide
1948-71-6

N-acetyl-L-tryrosinamide

Conditions
ConditionsYield
With methanol; ammonia
N-acetyl-L-tyrosine methyl ester
2440-79-1

N-acetyl-L-tyrosine methyl ester

N-acetyl-L-tryrosinamide
1948-71-6

N-acetyl-L-tryrosinamide

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

DL-tryptophanamide radical

N-acetyl-L-tryrosinamide anion

N-acetyl-L-tryrosinamide anion

A

N-acetyl-L-tryrosinamide
1948-71-6

N-acetyl-L-tryrosinamide

B

DL-tryptophanamide anion

DL-tryptophanamide anion

Conditions
ConditionsYield
at 20℃; Rate constant; one-electron redox reactions;
...Expand
L-Tyr-OMe
1080-06-4

L-Tyr-OMe

N-acetyl-L-tryrosinamide
1948-71-6

N-acetyl-L-tryrosinamide

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

L-tyrosine

N-acetyl-L-tryrosinamide
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
N-acetyl-L-tyrosine
537-55-3

N-acetyl-L-tyrosine

N-acetyl-L-tryrosinamide
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℃;
N-acetyl-L-tryrosinamide
1948-71-6

N-acetyl-L-tryrosinamide

tert-butyldimethylsilyl chloride
18162-48-6

tert-butyldimethylsilyl chloride

N-α-acetyl-O-(tert-butyl(dimethyl)silyl)-L-tyrosinamide
503157-91-3

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

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

N-acetyl-L-tryrosinamide

1-deoxy-1-fluoro-α-D-glucose
2106-10-7

1-deoxy-1-fluoro-α-D-glucose

C17H24N2O8

C17H24N2O8

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

N-acetyl-L-tryrosinamide

Ac-Dityr-NH2

Ac-Dityr-NH2

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

N-acetyl-L-tryrosinamide

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

(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-tryrosinamide
1948-71-6

N-acetyl-L-tryrosinamide

C11H15N3O2

C11H15N3O2

Conditions
ConditionsYield
With sodium tetrahydroborate; 5%-palladium/activated carbon; hydrazine hydrate; lithium hydroxide In 1,4-dioxane at 170℃; for 16h; Molecular sieve; Inert atmosphere;33%
N-acetyl-L-tryrosinamide
1948-71-6

N-acetyl-L-tryrosinamide

A

Ac-Isodityr-NH2

Ac-Isodityr-NH2

B

Ac-Dityr-NH2

Ac-Dityr-NH2

Conditions
ConditionsYield
With TEA; potassium hexacyanoferrate(III) In methanol; waterA 20%
B 17%
N-acetyl-L-tryrosinamide
1948-71-6

N-acetyl-L-tryrosinamide

(S)-3-acetylamino-7,9-dibromo-1-oxa-spiro[4.5]deca-6,9-diene-2,8-dione
103854-85-9

(S)-3-acetylamino-7,9-dibromo-1-oxa-spiro[4.5]deca-6,9-diene-2,8-dione

Conditions
ConditionsYield
With perchloric acid; bromine
N-acetyl-L-tryrosinamide
1948-71-6

N-acetyl-L-tryrosinamide

2-ethyl-5-phenylisoxazolium-3'-sulphonate
4156-16-5

2-ethyl-5-phenylisoxazolium-3'-sulphonate

3-{(E)-3-[4-((S)-2-Acetylamino-2-carbamoyl-ethyl)-phenoxy]-3-ethylamino-acryloyl}-benzenesulfonic acid
103383-43-3

3-{(E)-3-[4-((S)-2-Acetylamino-2-carbamoyl-ethyl)-phenoxy]-3-ethylamino-acryloyl}-benzenesulfonic acid

Conditions
ConditionsYield
With triethylamine In acetonitrile at 25℃;
N-acetyl-L-tryrosinamide
1948-71-6

N-acetyl-L-tryrosinamide

N-acetyl-L-tyrosine
537-55-3

N-acetyl-L-tyrosine

Conditions
ConditionsYield
With potassium phosphate buffer at 30℃; for 1h; amidase from Erwina carotovora; determination of relative rate of deamination;
With subtilisin-CLEC at 40℃; pH 7.5, phosphate buffer; Yield given;
N-acetyl-L-tryrosinamide
1948-71-6

N-acetyl-L-tryrosinamide

Phosphoric acid mono-[4-((S)-2-acetylamino-2-carbamoyl-ethyl)-phenyl] ester

Phosphoric acid mono-[4-((S)-2-acetylamino-2-carbamoyl-ethyl)-phenyl] ester

Conditions
ConditionsYield
With 1H-tetrazole; di-tert-butyl diisopropylphosphoramide; 3-chloro-benzenecarboperoxoic acid 1.) DMF, RT, 1 h, 2.) THF, CH2Cl2, 0 deg C, 30 min; Yield given. Multistep reaction;
methanol
67-56-1

methanol

perchloric acid
7601-90-3

perchloric acid

N-acetyl-L-tryrosinamide
1948-71-6

N-acetyl-L-tryrosinamide

bromine
7726-95-6

bromine

(S)-3-acetylamino-7,9-dibromo-1-oxa-spiro[4.5]deca-6,9-diene-2,8-dione
103854-85-9

(S)-3-acetylamino-7,9-dibromo-1-oxa-spiro[4.5]deca-6,9-diene-2,8-dione

...Expand
N-acetyl-L-tryrosinamide
1948-71-6

N-acetyl-L-tryrosinamide

N-α-(acetyl-tert-butoxycarbonyl)-N,N-di(tert-butoxycarbonyl)-L-tyrosinamide
503157-93-5

N-α-(acetyl-tert-butoxycarbonyl)-N,N-di(tert-butoxycarbonyl)-L-tyrosinamide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 93 percent / imidazole; pyridine / 4 h
2: 52 percent / (iPr)2NEt; DMAP / CH2Cl2 / 20 °C
3: 79 percent / TBAF / tetrahydrofuran / 0.5 h / 0 °C
View Scheme
N-acetyl-L-tryrosinamide
1948-71-6

N-acetyl-L-tryrosinamide

N-α-(acetyl-tert-butoxycarbonyl)-O-(tert-butyl(dimethyl)silyl)-N,N-di(tert-butoxycarbonyl)-L-tyrosinamide
503157-92-4

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

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 93 percent / imidazole; pyridine / 4 h
2: 52 percent / (iPr)2NEt; DMAP / CH2Cl2 / 20 °C
View Scheme
N-acetyl-L-tryrosinamide
1948-71-6

N-acetyl-L-tryrosinamide

O-[N-(acetyl-Boc)-L-tyrosinyl-N,N-di-Boc-amide]-O-(S-pivaloyl-2-thioethyl)-N,N-diisopropyl phosphoramidite
503157-97-9

O-[N-(acetyl-Boc)-L-tyrosinyl-N,N-di-Boc-amide]-O-(S-pivaloyl-2-thioethyl)-N,N-diisopropyl phosphoramidite

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 93 percent / imidazole; pyridine / 4 h
2: 52 percent / (iPr)2NEt; DMAP / CH2Cl2 / 20 °C
3: 79 percent / TBAF / tetrahydrofuran / 0.5 h / 0 °C
4: 65 percent / 3 Angstroem molecular sieves; 1H-tetrazole; NH(iPr)2 / acetonitrile / 2 h / 20 °C
View Scheme
N-acetyl-L-tryrosinamide
1948-71-6

N-acetyl-L-tryrosinamide

O-[N-(acetyl)-L-tyrosinamide]yl-O-(S-pivaloyl-2-thioethyl)-3'-azido-3'-deoxythymidin-5'-yl phosphate

O-[N-(acetyl)-L-tyrosinamide]yl-O-(S-pivaloyl-2-thioethyl)-3'-azido-3'-deoxythymidin-5'-yl phosphate

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1: 93 percent / imidazole; pyridine / 4 h
2: 52 percent / (iPr)2NEt; DMAP / CH2Cl2 / 20 °C
3: 79 percent / TBAF / tetrahydrofuran / 0.5 h / 0 °C
4: 65 percent / 3 Angstroem molecular sieves; 1H-tetrazole; NH(iPr)2 / acetonitrile / 2 h / 20 °C
5: 3 Angstroem molecular sieves; 1H-tetrazole / acetonitrile / 1 h
6: tBuOOH / toluene; acetonitrile / 1 h
7: 40 percent / HCl / dioxane; diethyl ether / 20 °C
View Scheme
N-acetyl-L-tryrosinamide
1948-71-6

N-acetyl-L-tryrosinamide

O-[N-(acetyl-Boc)-L-tyrosinyl-N,N-di-Boc-amide]-O-(3'-azido-3'-deoxythymidin-5'-yl) phosphate

O-[N-(acetyl-Boc)-L-tyrosinyl-N,N-di-Boc-amide]-O-(3'-azido-3'-deoxythymidin-5'-yl) phosphate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: 93 percent / imidazole; pyridine / 4 h
2.1: 52 percent / (iPr)2NEt; DMAP / CH2Cl2 / 20 °C
3.1: 79 percent / TBAF / tetrahydrofuran / 0.5 h / 0 °C
4.1: pyridine / acetonitrile / 0.5 h
4.2: I2; water / acetonitrile / 0.25 h
View Scheme
N-acetyl-L-tryrosinamide
1948-71-6

N-acetyl-L-tryrosinamide

C43H62N7O15PS

C43H62N7O15PS

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 93 percent / imidazole; pyridine / 4 h
2: 52 percent / (iPr)2NEt; DMAP / CH2Cl2 / 20 °C
3: 79 percent / TBAF / tetrahydrofuran / 0.5 h / 0 °C
4: 65 percent / 3 Angstroem molecular sieves; 1H-tetrazole; NH(iPr)2 / acetonitrile / 2 h / 20 °C
5: 3 Angstroem molecular sieves; 1H-tetrazole / acetonitrile / 1 h
View Scheme
N-acetyl-L-tryrosinamide
1948-71-6

N-acetyl-L-tryrosinamide

O-[N-(acetyl-Boc)-L-tyrosinyl-N,N-di-Boc-amide]-O-(S-pivaloyl-2-thioethyl)-3'-azido-3'-deoxythymidin-5'-yl phosphate
503157-88-8

O-[N-(acetyl-Boc)-L-tyrosinyl-N,N-di-Boc-amide]-O-(S-pivaloyl-2-thioethyl)-3'-azido-3'-deoxythymidin-5'-yl phosphate

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: 93 percent / imidazole; pyridine / 4 h
2: 52 percent / (iPr)2NEt; DMAP / CH2Cl2 / 20 °C
3: 79 percent / TBAF / tetrahydrofuran / 0.5 h / 0 °C
4: 65 percent / 3 Angstroem molecular sieves; 1H-tetrazole; NH(iPr)2 / acetonitrile / 2 h / 20 °C
5: 3 Angstroem molecular sieves; 1H-tetrazole / acetonitrile / 1 h
6: tBuOOH / toluene; acetonitrile / 1 h
View Scheme
di-tert-butyl dicarbonate
24424-99-5

di-tert-butyl dicarbonate

N-acetyl-L-tryrosinamide
1948-71-6

N-acetyl-L-tryrosinamide

C16H22N2O5

C16H22N2O5

Conditions
ConditionsYield
With sodium hydroxide In 1,4-dioxane; water at 0 - 20℃;

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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