Ethyl (S)-2-amino-4-phenylbutanoate hydrochloride

Basic Information

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CAS Number

90891-21-7

Molecular Formula

C12H18ClNO2

Molecular Weight

243.73 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

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Solid

Melting Point

158.0 to 162.0 deg-C

Boiling Point

311.4℃ at 760 mmHg

Density

1.0580

Flash Point

164.8℃

Specific Rotation

26 º (c=1,CHCl3)

SMILES

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CCOC(=O)C(CCC1=CC=CC=C1)N.Cl

InChI

InChI=1S/C12H17NO2.ClH/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10;/h3-7,11H,2,8-9,13H2,1H3;1H/t11-;/m0./s1

InChIKey

PTFKZMFFSIYCOV-MERQFXBCSA-N

LogP

1.9314

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

188

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Ethyl (S)-2-amino-4-phenylbutanoate hydrochloride
(S)-(+)-2-Amino-4-phenylbutyric acid ethyl ester hydrochloride
L-Homophenylalanine ethyl ester hydrochloride
ethyl (2S)-2-amino-4-phenylbutanoate,hydrochloride
H-L-Homophe-Oet.HCl
HOMOPHE-OET·HCL
(S)-2-Amino-4-phenylbutyric Acid Ethyl Ester Hydrochloride
Ethyl (S)-2-Amino-4-phenylbutyrate Hydrochloride
Benzenebutanoic acid, α-amino-, ethyl ester, hydrochloride, (S)- (ZCI)
Benzenebutanoic acid, α-amino-, ethyl ester, hydrochloride, (αS)- (9CI)
(s)-(+)-2-Amino-4-phenylbutyric acid ethyl ester hydrochloride
EN300-1719367
ETHYL L-HOMOALANINATE HCL
H-Hph-OEt. HCl
L-Homophenylalanine ethyl ester, HCl
(S)-(+)-2-Amino-4-phenylbutyric acid ethyl ester hydrochloride, 97%
AS-15584
MFCD00190691
Ethyl (2S)-2-Amino-4-phenylbutanoate Hydrochloride (L-Homophenylalanine Ethyl Ester Hydrochloride)
Ethyl (S)-2-amino-4-phenylbutyrate hydrochloride
(S)-2-Amino-4-phenyl-butyric acid ethyl ester hydrochloride
H-HoPhe-OEt.HCl
AC-24136
H-HPh-OEt.HCl
ethyl (2S)-2-amino-4-phenylbutanoate;hydrochloride
(S)-2-amino-4-phenyl-butyric acid ethyl ester, hydrochloride salt
homophenylalanine ethyl ester hydrochloride
SCHEMBL2082299
J-300431
L-HOMOPHENYLALANINE ETHYL ESTER HYDROCHLORIDE
CS-W002491

MDL Number

MFCD00190691

Customs Code

2922499990

FAQ

What are the physical and chemical properties of Ethyl (S)-2-amino-4-phenylbutanoate hydrochloride (CAS: 90891-21-7)?

Ethyl (S)-2-amino-4-phenylbutanoate hydrochloride is a colorless to white crystalline solid with a molecular weight of approximately 248.3 g/mol. It is soluble in water and organic solvents. The compound is moderately reactive, particularly in its basic form, and is sensitive to strong acids and bases. It has a pKa of about 10.5.

How is Ethyl (S)-2-amino-4-phenylbutanoate hydrochloride (CAS: 90891-21-7) typically synthesized?

Ethyl (S)-2-amino-4-phenylbutanoate hydrochloride can be synthesized via the reaction of ethyl 4-aminobutanoate with phenyl isocyanate followed by hydrochlorination. This process involves the use of a mild base and a catalyst to ensure high selectivity and yield. The reaction typically proceeds under mild conditions to avoid degradation of the product.

What industries use Ethyl (S)-2-amino-4-phenylbutanoate hydrochloride (CAS: 90891-21-7)?

Ethyl (S)-2-amino-4-phenylbutanoate hydrochloride is primarily used in the pharmaceutical industry for the synthesis of various drugs. It is also applied in the production of certain polymers and as a chiral auxiliary in the synthesis of chiral compounds. Additionally, it can be used in the development of sensors and in semiconductor applications.

What precautions should be taken when handling Ethyl (S)-2-amino-4-phenylbutanoate hydrochloride (CAS: 90891-21-7)?

When handling Ethyl (S)-2-amino-4-phenylbutanoate hydrochloride, proper personal protective equipment (PPE) is essential, including gloves, safety goggles, and a lab coat. It should be stored in a cool, dry place away from strong acids and bases. In case of spillage, it should be cleaned up carefully using appropriate absorbents and disposing of the material according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.