ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate hydrate

Basic Information

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CAS Number

36546-50-6

Molecular Formula

C13H19NO5

Molecular Weight

269.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

79.0 to 83.0 deg-C

Density

1.1790

SMILES

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CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C.O

InChI

InChI=1S/C13H17NO4.H2O/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);1H2/t12-;/m0./s1

InChIKey

YWAVLHZJMWEYTA-YDALLXLXSA-N

LogP

0.17779999999999935

Topological Polar Surface Area

107.13 Å²

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

285

Safety Information

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Sensitiveness

Hygroscopic

Synonyms & References

English

N-Acetyl-L-tyrosine ethyl ester monohydrate
ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
N_Acetyl_L_tyrosine_ethyl_ester
EN300-7385616
AKOS016002100
36546-50-6
CHEBI:177653
ATEE
N-acetyl tyrosine ethyl ester mono hydrate
SCHEMBL2521638
AS-56536
Ac-Tyr-OEt.H2O
CS-W014038
MFCD00149093
YWAVLHZJMWEYTA-YDALLXLXSA-N
A823290
HY-W013322
N-Acetyltyrosine ethyl ester monohydrate
Ethyl N-acetyl-L-tyrosinate hydrate
ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate hydrate
N-Acetyl-L-tyrosine Ethyl Ester Monohydrate
ACETYL-L-TYROSINE ETHYLESTER, N-(RG)
AC-TYR-OET H2O
N-Acetyl-L-tyrosineethylester
ACETYL-L-TYROSINE ETHYL ESTER HYDRATE
ATEE MONOHYDRATE
N-ACETYL TYROSINE ETHYL ESTER HYDRATE
N-Acetyl-L-Tyr-OEt
N-Acetyl-L-tyrosine ethyl ester hydrate
N-ACETYL-L-TYROSINE ETHYL ESTER:ATEE
N-ACETYLTYROSINE ETHYL ESTER 1-HYDRATE

MDL Number

MFCD00149093

Customs Code

2924299090

FAQ

What is ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate hydrate (CAS: 36546-50-6)?

Ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate hydrate is a chemical compound with the CAS number 36546-50-6. It is a white to off-white solid with a pungent odor. This compound is used in pharmaceuticals as an intermediate in the synthesis of other compounds. Its properties include solubility in water and organic solvents.

What are the main uses of ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate hydrate (CAS: 36546-50-6)?

Ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate hydrate (CAS: 36546-50-6) is primarily used as an intermediate in pharmaceutical manufacturing. It serves as a key building block for synthesizing other compounds, particularly those in the field of drug development.

Is ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate hydrate (CAS: 36546-50-6) safe?

Ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate hydrate (CAS: 36546-50-6) is generally safe under normal handling conditions. However, it should be handled with care to avoid skin and eye contact. Proper ventilation and personal protective equipment (PPE) are recommended during its use. Spills should be cleaned up carefully and disposed of according to local regulations.

How should ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate hydrate (CAS: 36546-50-6) be stored?

Ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate hydrate (CAS: 36546-50-6) should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. The storage area should be well-ventilated, and the container should be stored at room temperature (15-25°C).