Cas no 840-97-1 (Ac-Tyr-OEt)

Ac-Tyr-OEt structure
Ac-Tyr-OEt structure
Product Name:Ac-Tyr-OEt
CAS No:840-97-1
MF:C13H17NO4
MW:251.278383970261
MDL:MFCD00080844
CID:724441
PubChem ID:13289
Update Time:2025-09-22

Ac-Tyr-OEt Chemical and Physical Properties

Names and Identifiers

    • N-Acetyl-L-tyrosine methyl ester
    • N-ALPHA-ACETYL-L-TYROSINE ETHYL ESTER
    • N-ACETYL-L-TYR ETHYL ESTER
    • N-ACETYL-L-TYROSINE ETHYL ESTER
    • ethyln-alpha-acetyl-tyrosinate
    • ATEE
    • ETHYLACETYL-L-TYROSINE
    • AC-TYR-OET
    • AC-TYROSINE-OET
    • Ac-L-Tyr-OEt*H2O
    • Ac-Tyr-OEt H2O
    • Ethyl N-acetyl-L-tyrosinate
    • L-Tyrosine, N-acetyl-,ethyl ester
    • N-Acetyl-L-tyrosine Ethyl Ester Monohydrate
    • (S)-2-acetylamino-3-(4-hydroxyphenyl)propionic acid ethyl ester
    • (S)-Ethyl 2-acetamido-3-(4-hydroxyphenyl)propanoate
    • Ac(TyrOH)OEt
    • Ac-L-Tyr-OEt
    • ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate
    • L-ATEE
    • N-Acetyltyrosine ethyl
    • N-Ac-Tyr-OEt
    • L-Tyrosine, N-acetyl-, ethyl ester
    • Ethyl N-alpha-acetyl-tyrosinate
    • PubChem13178
    • N-Acetyl-L-tyrosine ethyl
    • N-acetyl tyrosine ethylester
    • n-acetyl tyrosine ethyl ester
    • TYR001
    • SKAWDTAMLOJQNK-LBPRGKRZSA-N
    • Tyrosine, N-acetyl-, ethyl ester, L- (6CI)
    • (S)-N-Acetyltyrosine ethyl ester
    • Acetyl-L-tyrosine ethyl ester
    • Acetyltyrosine ethyl ester
    • Ethyl acetyltyrosinate
    • N-Acetyltyrosine ethyl ester
    • NSC 64725
    • NSC 87506
    • CHEBI:28828
    • (S)-Ethyl2-acetamido-3-(4-hydroxyphenyl)propanoate
    • N-Acetyl-L-Tyrosineethylestermonohydrate
    • L-Tyrosine, N-acetyl-, ethyl ester, hydrate (1:1)
    • DTXSID20877256
    • CHEMBL3278820
    • AS-68931
    • W-106602
    • A0118
    • ALBB-028186
    • NS00042415
    • MFCD00002389
    • 840-97-1
    • HY-W236261
    • EINECS 212-663-5
    • D87592
    • EN300-302678
    • L-Tyrosine, N-acetyl-, ethyl ester, monohydrate
    • Ethyl N-acetyl-L-tyrosinate (Ac-L-Tyr-OEt)
    • CS-0298722
    • AKOS016844077
    • SCHEMBL468756
    • C01657
    • Ethyl acetyl-l-tyrosinate
    • Tyrosine, N-acetyl-, ethyl ester, L-
    • N-Acetyltyrosine ethyl ester monohydrate
    • Q27103918
    • Ac-Tyr-OEt
    • MDL： MFCD00080844
    • Inchi： 1S/C13H17NO4/c1-3-18-13(17)12(14-9(2)15)8-10-4-6-11(16)7-5-10/h4-7,12,16H,3,8H2,1-2H3,(H,14,15)/t12-/m0/s1
    • InChI Key： SKAWDTAMLOJQNK-LBPRGKRZSA-N
    • SMILES： [C@@H](NC(=O)C)(C(=O)OCC)CC1C=CC(O)=CC=1

Computed Properties

  • Exact Mass: 251.11600
  • Monoisotopic Mass: 251.116
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 6
  • Complexity: 285
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 75.6
  • Surface Charge: 0
  • Tautomer Count: 4

Experimental Properties

  • Color/Form: White crystals.
  • Density: 1.1667 (rough estimate)
  • Melting Point: 78-81?°C
  • Boiling Point: 394.43°C (rough estimate)
  • Flash Point: 234.7 °C
  • Refractive Index: 22 ° (C=1, EtOH)
  • PSA: 75.63000
  • LogP: 1.39340
  • Solubility: Soluble in hot water and ethanol, very slightly soluble in cold water

Ac-Tyr-OEt Security Information

Ac-Tyr-OEt Customs Data

  • HS CODE：2924299090
  • Customs Data：

    China Customs Code:

    2924299090

    Overview:

    2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Ac-Tyr-OEt Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Chymotrypsin
Reference
Optimization of the enzymatic synthesis of amino acid esters. Reaction in polyphasic medium
Vidaluc, J. L.; Baboulene, M.; Speziale, V.; Lattes, A.; Monsan, P., Tetrahedron, 1983, 39(2), 269-74

Production Method 2

Reaction Conditions
1.1 Reagents: Thionyl chloride ;  -8 °C; 30 min, -8 °C
1.2 -8 °C → rt; 2 h, rt; 2 h, 75 °C
Reference
Study on synthesis process of N-acetyl-L-tyrosine ethyl ester
Tang, Jun; Lu, Zao-sheng; Han, Qing; Wang, Da-wei; Ren, Xiao-li; et al, Henan Gongye Daxue Xuebao, 2014, 35(6), 72-75

Production Method 3

Reaction Conditions
1.1 Reagents: Water Catalysts: Proteinase (porous glass-immobilized alk.-stable) Solvents: Ethanol ,  Acetone
Reference
Enzymatic synthesis of N-acetyl-L-tyrosine ethyl ester in organic media
Glowacka, Agnieszka; Antczak, Tadeusz; Kolucka, Katarzyna; Trzmiel, Tadeusz, Zywnosc, 2000, 7(3), 96-104

Production Method 4

Reaction Conditions
Reference
Kinetics of amino acid esterification catalyzed by hydrophobic derivatives of α-chymotrypsin
Remy, Marie Helene; Bacou, Philippe; Bourdillon, Catherine; Thomas, Daniel, Biochimica et Biophysica Acta, 1987, 911(2), 252-5

Production Method 5

Reaction Conditions
1.1 Catalysts: Chymotrypsin
Reference
Enzymic synthesis of amino acid esters in organic media
Tarouis, Dominique; Monsan, Pierre; Durand, Gilbert, Bulletin de la Societe Chimique de France, 1980, 76, 76-9

Production Method 6

Reaction Conditions
1.1 Solvents: Ethanol ,  Water ;  24 h, 30 °C
Reference
Endopeptidases of Bacillus subtilis IBTC-3 and B. alcalophilus PB92 in synthesis of precursors of biologically active peptides
Glowacka, Agnieszka E.; Szczesna-Antczak, Miroslawa H.; Piotrowicz-Wasiak, Malgorzata; Antczak, Tadeusz Z., Indian Journal of Biochemistry & Biophysics, 2009, 46(3), 213-220

Production Method 7

Reaction Conditions
1.1 Reagents: Thionyl chloride Solvents: Ethanol ;  1 h, 80 °C
Reference
Synthesis and evaluation of N-acetyl-L-tyrosine based compounds as PPARα selective activators
Kumar, Rakesh; Ramachandran, Uma; Raichur, Suryaprakash; Chakrabarti, Ranjan; Jain, Rahul, European Journal of Medicinal Chemistry, 2007, 42(4), 503-510

Production Method 8

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Dichloromethane ;  20 min, 0 °C; 2 h, 0 °C
Reference
Visible-light mediated tryptophan modification in oligopeptides employing acylsilanes
Reimler, Jannik; Studer, Armido, Chemistry - A European Journal, 2021, 27(62), 15392-15395

Production Method 9

Reaction Conditions
1.1 Catalysts: Octanal (reaction products with α-chymotrypsin) Solvents: Tetrahydrofuran
Reference
Chymotrypsins modified by neutral or charged amphiphiles as catalysts for ester synthesis in polar organic solvents
Cabaret, Daniel; Boucier, Sophie; Maillot, Sophie; Wakselman, Michel, Biocatalysis, 1992, 6(3), 191-9

Production Method 10

Reaction Conditions
1.1 Catalysts: Chymotrypsin
Reference
Enzymic reactions in aqueous-organic media. V. Medium effect on the esterification of aromatic amino acids by α-chymotrypsin
Kise, H.; Shirato, H., Enzyme and Microbial Technology, 1988, 10(10), 582-5

Production Method 11

Reaction Conditions
1.1 Catalysts: Chymotrypsin Solvents: Ethanol ,  Water
Reference
Enzymic reactions in aqueous-organic media. II. Effects of reaction conditions and selectivity in the esterification of aromatic amino acids by α-chymotrypsin in alcohols
Kise, Hideo; Shirato, Hitoshi; Noritomi, Hidetaka, Bulletin of the Chemical Society of Japan, 1987, 60(10), 3613-18

Production Method 12

Reaction Conditions
1.1 Catalysts: Chymotrypsin
Reference
Amino acid ester synthesis by immobilized α-chymotrypsin
Mori, Takao; Nilsson, Kurt; Larsson, Per Olof; Mosbach, Klaus, Biotechnology Letters, 1987, 9(7), 455-60

Production Method 13

Reaction Conditions
1.1 Reagents: Phosphate Catalysts: Chymotrypsin Solvents: Ethanol ,  Water
Reference
Enzymic reactions in aqueous-organic media. 1. Synthesis of aromatic amino acid ethyl esters by α-chymotrypsin in solutions of high ethanol concentrations
Kise, Hideo; Shirato, Hitoshi, Tetrahedron Letters, 1985, 26(49), 6081-4

Production Method 14

Reaction Conditions
Reference
Optically active amino acids by enzymic synthesis
, France, , ,

Ac-Tyr-OEt Raw materials

Ac-Tyr-OEt Preparation Products

Ac-Tyr-OEt Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:840-97-1)Ac-Tyr-OEt
Order Number:A1211332
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 03:56
Price ($):244.0

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Amadis Chemical Company Limited
(CAS:840-97-1)Ac-Tyr-OEt
A1211332
Purity:99%
Quantity:100g
Price ($):244.0
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