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AC-TYR-OME H2O, also known as Methyl N-Acetyltyrosinate, is a white solid with unique chemical properties. It is a derivative of the amino acid tyrosine, which has been acetylated and combined with a methyl group and water molecule. AC-TYR-OME H2O has potential applications in various industries due to its distinct characteristics.

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  • 2440-79-1 Structure
  • Basic information

    1. Product Name: AC-TYR-OME H2O
    2. Synonyms: AC-TYR-OME;AC-TYR-OME H2O;AC-TYROSINE-OME;ACETYL-L-TYROSINE METHYL ESTER HYDRATE;N-ALPHA-ACETYL-L-TYROSINE METHYL ESTER HYDRATE;Ac-L-Tyr-OMe;N-alpha-Actetyl-L-tyrosine methyl ester;Methyl N-Acetyl-L-tyrosine
    3. CAS NO:2440-79-1
    4. Molecular Formula: C12H15NO4
    5. Molecular Weight: 237.25
    6. EINECS: N/A
    7. Product Categories: Amino Acids
    8. Mol File: 2440-79-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 457 °C at 760 mmHg
    3. Flash Point: 230.2 °C
    4. Appearance: /
    5. Density: 1.207 g/cm3
    6. Vapor Pressure: 5.67E-09mmHg at 25°C
    7. Refractive Index: 1.539
    8. Storage Temp.: Store at RT.
    9. Solubility: N/A
    10. CAS DataBase Reference: AC-TYR-OME H2O(CAS DataBase Reference)
    11. NIST Chemistry Reference: AC-TYR-OME H2O(2440-79-1)
    12. EPA Substance Registry System: AC-TYR-OME H2O(2440-79-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 2440-79-1(Hazardous Substances Data)

2440-79-1 Usage

Uses

Used in Cosmetics and Personal Care Industry:
AC-TYR-OME H2O is used as an active ingredient in anti-odor compositions for the cosmetics and personal care industry. Its ability to neutralize and control odors makes it a valuable addition to products such as deodorants, body sprays, and antiperspirants. It helps in reducing unpleasant body odors and maintaining a fresh and clean scent throughout the day.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, AC-TYR-OME H2O can be utilized for its potential therapeutic properties. As a derivative of tyrosine, it may play a role in the development of drugs targeting various health conditions, including neurological disorders and metabolic diseases. Further research and development are required to fully understand and harness its potential in this field.
Used in Environmental and Industrial Applications:
AC-TYR-OME H2O's odor-neutralizing properties can also be applied in environmental and industrial settings. It can be used in the development of products that help control and eliminate odors in various environments, such as waste management facilities, public restrooms, and pet care products. This can contribute to a cleaner and more pleasant atmosphere in these settings.

Check Digit Verification of cas no

The CAS Registry Mumber 2440-79-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,4,4 and 0 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 2440-79:
(6*2)+(5*4)+(4*4)+(3*0)+(2*7)+(1*9)=71
71 % 10 = 1
So 2440-79-1 is a valid CAS Registry Number.
InChI:InChI=1/C12H15NO4/c1-8(14)13-11(12(16)17-2)7-9-3-5-10(15)6-4-9/h3-6,11,15H,7H2,1-2H3,(H,13,14)/t11-/m0/s1

2440-79-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name AC-TYR-OME H2O

1.2 Other means of identification

Product number -
Other names N-acetyl L-tyrosine methyl ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:2440-79-1 SDS

2440-79-1Relevant articles and documents

Concentration- and Structure-Dependent Effects of Amides on Protease Activity in Organic Solvents

Yamamoto, Yasuhito,Kise, Hideo

, p. 1367 - 1370 (1994)

The catalytic activity of α-chymotrypsin (CT) in the transesterification of N-acetyl-L-tyrosine methyl ester to its ethyl ester in aqueous-organic media was markedly enhanced by replacing a part of water with foramide.The activity of CT was strongly dependent on the formamide/water ratio, and excess formamide retarded the activity.Addition of formamide to reaction mixtures at constant water contents exhibited similar activation-deactivation profiles for CT.A kinetic study revealed that the rate acceleration is due to an increase in kcat rather than a change in Km.At a given concentration of amides (0.5 M, M = mol dm-3), propionamide and DMF were much less effective than formamide for activation of CT.The results suggest that foramide interacts with CT in a different way from water.

Catalytic specificity exhibited by p-sulfonatocalix[n]arenes in the methanolysis of N-acetyl-L-amino acids

Goto, Koichi,Yano, Yoshihiro,Okada, Eiji,Liu, Chin-Wen,Yamamoto, Kiyoto,Ueoka, Ryuichi

, p. 865 - 870 (2003)

Specific acid catalysis of p-sulfonatocalix[n]arenes (n = 4, Calix-S4; n = 6, Calix-S6; n = 8, Calix-S8) was observed in the alcoholysis of N-acetyl-L-amino acids in methanol. The methanolysis rates of basic amino acid substrates (His, Lys, and Arg) were

Effects of metal salts on the structure and activity of α-chymotrypsin in ethanol/water

Sasaki, Toshiya,Kise, Hideo

, p. 1321 - 1325 (1999)

The catalytic activity and circular dichroic (CD) spectra of α- chymotrypsin (CT) were measured in ethanol/water (95/5, v/v) solution containing small amounts of metal salts. Although the catalytic activity of CT increased upon the addition of all the metal salts used, the magnitude of activity increase was different for different metal salts. Especially, calcium acetate accelerated the transesterification of amino acid up to 6 fold at 100 μM. The secondary and tertiary structures of CT were also changed by metal salts, as studied by CD measurements. The effects of metal salts on the stability of CT in ethanol/water were also studied, and it was found that the residual activity of CT after 7 days in ethanol/water in the presence of Ca(OCOCH3)2 was about 20% of the initial activity. The change in activity was closely correlated with the change in the mean residue ellipticity of CT at 208 or 230 nm.

Solid-Supported tert-Alkoxycarbonylation Reagents for Anchoring of Amines during Solid Phase Organic Synthesis

Hernandez, Andres S.,Hodges, John C.

, p. 3153 - 3157 (1997)

The preparation and characterization of a homologous series of solid phase synthesis resins for anchoring amines via a Boc-like linker are described. The scope and limitations of these resins are explored with respect to procedures for attachment and clea

Increase of catalytic activity of alpha-chymotrypsin by metal salts for transesterification of an amino acid ester in ethanol.

Sasaki,Kise

, p. 1196 - 1197 (1997)

alpha-Chymotrypsin-catalyzed transesterification of N-acetyl-L-tyrosine methyl ester in ethanol was markedly accelerated by addition of small amounts of divalent metal salts. The reaction rate dependent not only on the nature of metal ions but also on the nature of anionic counter ions. Calcium acetate was the most effective among the metal salts used. The reaction followed Michaelis-Menten kinetics, and it was found that the reaction increase is due to the increase in kcat.

Discovery of Modified Amidate (ProTide) Prodrugs of Tenofovir with Enhanced Antiviral Properties

Kal?ic, Filip,Zgarbová, Michala,Hodek, Jan,Chalupsky, Karel,Dra?ínsky, Martin,Dvo?áková, Alexandra,Strmeň, Timotej,?ebestík, Jaroslav,Baszczyňski, Ond?ej,Weber, Jan,Mertlíková-Kaiserová, Helena,Janeba, Zlatko

, p. 16425 - 16449 (2021/11/16)

This study describes the discovery of novel prodrugs bearing tyrosine derivatives instead of the phenol moiety present in FDA-approved tenofovir alafenamide fumarate (TAF). The synthesis was optimized to afford diastereomeric mixtures of novel prodrugs in

A Metal-Free Direct Arene C?H Amination

Wang, Tao,Hoffmann, Marvin,Dreuw, Andreas,Hasagi?, Edina,Hu, Chao,Stein, Philipp M.,Witzel, Sina,Shi, Hongwei,Yang, Yangyang,Rudolph, Matthias,Stuck, Fabian,Rominger, Frank,Kerscher, Marion,Comba, Peter,Hashmi, A. Stephen K.

supporting information, p. 2783 - 2795 (2021/04/05)

The synthesis of aryl amines via the formation of a C?N bond is an essential tool for the preparation of functional materials, active pharmaceutical ingredients and bioactive products. Usually, this chemical connection is only possible by transition metal-catalyzed reactions, photochemistry or electrochemistry. Here, we report a metal-free arene C?H amination using hydroxylamine derivatives under benign conditions. A charge transfer interaction between the aminating reagents TsONHR and the arene substrates enables the chemoselective amination of the arene, even in the presence of various functional groups. Oxygen was crucial for an effective conversion and its accelerating role for the electron transfer step was proven experimentally. In addition, this was rationalized by a theoretical study which indicated the involvement of a dioxygen-bridged complex with a “Sandwich-like” arrangement of the aromatic starting materials and the aminating agents at the dioxygen molecule. (Figure presented.).

Tyrosine-Specific Modification via a Dearomatization-Rearomatization Strategy: Access to Azobenzene Functionalized Peptides

Cheng, Yulian,Cheng, Zhehong,Fang, Lijing,Li, Hongchang,Su, Wu,Wang, Pengxin,Wang, Rui,Wu, Chunlei,Zhou, Yimin

supporting information, p. 4137 - 4141 (2021/06/27)

Azobenzene functionalized peptides are of great importance in photoresponsive biosystems and photopharmacology. Herein, we report an efficient approach to prepare azobenzene functionalized peptides through late-stage modification of tyrosine-containing peptides using a dearomatization-rearomatization strategy. This approach shows good chemoselectivity and site selectivity as well as sensitive group tolerance to various peptides. This method enriches the postsynthetic modification toolbox of peptides and has great potential to be applied in medicinal chemistry and chemical biology.

Preparation method of rosastat key intermediate

-

Paragraph 0053-0056, (2020/09/09)

The invention provides a preparation method of a rosastat key intermediate. The intermediate I is 4-hydroxy-1-methyl-7-phenoxy isoquinoline-3-carboxylic ester. The preparation method comprises the following steps: with tyrosine as an initial raw material, sequentially carrying out esterification, acylation, etherification, cyclization, aromatization and oxidation rearrangement reaction to preparethe rosastat key intermediate. The preparation method has the advantages of cheap and easily available raw materials, environmental protection, avoiding of use of phosphorus oxychloride, polyphosphoric acid and other environmentally unfriendly reagents in the cyclization reaction, simple process, simple operation and mild reaction conditions; and the method has the advantages of less three wastesand higher product yield and purity, and is suitable for industrial production.

REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION

-

Page/Page column 107-108, (2020/06/01)

Thianthrene derivative of the Formula (I): wherein R1 to R8 may be the same or different and are selected from hydrogen, Cl, F, a partially or fully fluorinated C1 to C6 alkyl group, and wherein n is 0 or 1, with the proviso that at least one of R1 to R8 is not hydrogen and process for C-H functionalization of aromatic compounds using this compound.

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