N-Acetyltyrosine

Base Information

• Chemical Name: N-Acetyltyrosine
• CAS No.: 2901-77-1
• Molecular Formula: C11H13NO4
• Molecular Weight: 223.229
• European Community (EC) Number: 684-215-0
• NSC Number: 10853
• DSSTox Substance ID: DTXSID90859468
• Nikkaji Number: J1.031.113F
• Wikidata: Q27137011
• NCI Thesaurus Code: C61853
• RXCUI: 31005
• ChEMBL ID: CHEMBL1972224
• Mol file: 2901-77-1.mol

Synonyms:acetyl-L-tyrosine;N-acetyltyrosine;N-acetyltyrosine, (D)-isomer;N-acetyltyrosine, (DL)-isomer

Chemical Property of N-Acetyltyrosine

Chemical Property:

• Melting Point: 90 °C
• Boiling Point: 531.3±45.0 °C(Predicted)
• PKA: 3.15±0.10(Predicted)
• PSA: 86.63000
• Density: 1.304±0.06 g/cm3(Predicted)
• LogP: 0.91490
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 223.08445790
• Heavy Atom Count: 16
• Complexity: 259

Purity/Quality:

98% ^*data from raw suppliers

N-ACETYL-DL-TYROSINE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O

Technology Process of N-Acetyltyrosine

There total 7 articles about N-Acetyltyrosine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 81.0%

?Tyr (556-02-5,556-03-6,34537-57-0,55520-40-6,96946-98-4,60-18-4,18875-48-4,25619-78-7,30704-25-7) + potassium thioacetate (10387-40-3) → N-acetyltyrosine (2901-77-1)

Guidance literature:

With tris(2,2'-bipyridyl)ruthenium dichloride; In acetonitrile; at 20 ℃; Irradiation;

DOI:10.1021/acscatal.5b02943

Reference yield: 73.0%

2-acetylamino-3-(4-hydroxyphenyl)propionic acid methyl ester (23525-90-8) → N-acetyltyrosine (2901-77-1)

Guidance literature:

for 14h; carbonate hydrolyase EC 4.2.2.1 (bovine carbonic anhydrase, BCA), pH 7.5;

DOI:10.1016/S0957-4166(00)80220-7

Reference yield:

α-acetylamino-4-hydroxy-cinnamic acid (38243-39-9) → N-acetyltyrosine (2901-77-1)

Guidance literature:

With sodium hydroxide; nickel; under 44130.5 Torr; Hydrogenation;

upstream raw materials:

α-acetylamino-4-hydroxy-cinnamic acid

tyrosine ethyl ester

acetic anhydride

L-tyrosine

Downstream raw materials:

L-tyrosine

N-acetyl-N'-[3-(2-oxotetrahydropyrimidin-1(2H)-yl)propyl]-O-phosphono-D,L-tyrosinamide

N-acetyl-L-tyrosine

Refernces

• 1、 Chenevert, Robert,Rhlid, Rachid Bel,Letourneau, Martin,Gagnon, Rene,D'Astous, Linda. "Selectivity in Carbonic Anhydrase Catalyzed Hydrolysis of Standard N-Acetyl-DL-amino Acid Methyl Esters". . p. 1137 - 1140. Retrieved 2007/10/02.
• 2、 -. "Cosmetic sunscreen product for the face and body". . . Retrieved 2008/06/13.