2-amino-4-phenylbutanoic acid

Basic Information

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CAS Number

1012-05-1

Molecular Formula

C10H13NO2

Molecular Weight

179.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

294°C

Boiling Point

5100°C

Density

1.1640

Flash Point

150.2±25.9 °C

Refractive Index

1.569

SMILES

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C1=CC=C(C=C1)CCC(C(=O)O)N

InChI

InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)

InChIKey

JTTHKOPSMAVJFE-UHFFFAOYSA-N

LogP

1.0311

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

164

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

LISINOPRIL DIHYDRATE IMPURITY A [EP IMPURITY]
AMINO-.GAMMA.-PHENYLBUTYRIC ACID, DL-.ALPHA.
BCP11593
HOMOPHENYLALANINE, DL-
FT-0627846
BDBM50179729
AB00246
Lisinopril Dihydrate Imp. A (EP); Lisinopril Imp. A (EP); (2RS)-2-Amino-4-phenylbutanoic Acid; Lisinopril Dihydrate Impurity A; Lisinopril Impurity A
(2RS)-2-Amino-4-phenylbutanoic Acid
Q27285054
CHEMBL203873
HOMOPHENYLALANINE, (+/-)-
DTXSID80874100
CS-W017261
FT-0633244
FT-0641882
(r)-2-amino-4-phenyl-butyric acid
d,l-homophenylalanine
2-Amino-4-phenylbutyric acid
AKOS016038570
L-Homophe-OH;(S)-2-Amino-4-phenylbutyric Acid
NS00042397
NTL1IB8F3L
SY034143
DL-Homophenylalanine
2-Amino-4-phenylbutanoic acid
UNII-NTL1IB8F3L
dl-2-amino-4-phenylbutyric acid
EN300-135009
AM20060478
AKOS000184444

MDL Number

MFCD00063092

FAQ

What are the physical and chemical properties of 2-amino-4-phenylbutanoic acid (CAS: 1012-05-1)?

2-Amino-4-phenylbutanoic acid is a white to off-white crystalline solid with a molecular weight of approximately 212.26 g/mol. It has a solubility of about 0.2 g/L in water and is slightly soluble in ethanol. It is moderately reactive, capable of undergoing amide and ester formation. It is stable under normal storage conditions but should be protected from moisture and light.

How is 2-amino-4-phenylbutanoic acid (CAS: 1012-05-1) typically synthesized?

2-Amino-4-phenylbutanoic acid is typically synthesized by the coupling of phenylalanine with an amino acid or via the condensation of 4-phenylbutyric anhydride with an amine. Commonly, the synthesis involves the use of coupling agents like dicyclohexylcarbodiimide (DCC) and 4-(dimethylamino)pyridine (DMAP) as catalysts, with good yield and selectivity.

What industries use 2-amino-4-phenylbutanoic acid (CAS: 1012-05-1)?

2-Amino-4-phenylbutanoic acid is used in the pharmaceutical industry for the synthesis of certain drugs due to its biological activity. It is also used in the preparation of organic polymers, particularly in the development of biodegradable materials. Additionally, it can be employed in the manufacturing of sensors and semiconductors.

What precautions should be taken when handling 2-amino-4-phenylbutanoic acid (CAS: 1012-05-1)?

When handling 2-amino-4-phenylbutanoic acid, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate spill kits, and the area should be well-ventilated. Safety data sheets (SDS) should be consulted for detailed handling procedures and emergency response guidelines.