3-(1-Benzofuran-3-yl)alanine

Basic Information

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CAS Number

72071-49-9

Molecular Formula

C11H11NO3

Molecular Weight

205.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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C1=CC=C2C(=C1)C(=CO2)CC(C(=O)O)N

InChI

InChI=1S/C11H11NO3/c12-9(11(13)14)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9H,5,12H2,(H,13,14)

InChIKey

IIQKYWMOMQWBER-UHFFFAOYSA-N

LogP

1.3872

Topological Polar Surface Area

76.46 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

244

Synonyms & References

English

O10646
(2R)-2-amino-3-(1-benzofuran-3-yl)propanoic acid
AKOS016010548
(2S)-2-amino-3-(1-benzofuran-3-yl)propanoic acid
DTXSID50992800
3-(3-Benzofuranylalanine)
2-Amino-3-(benzofuran-3-yl)propanoicacid
EN300-333668
SCHEMBL1264670
Z1416286798
3-Benzofuranpropanoic acid, alpha-amino-, (+-)-
2-Amino-3-(benzofuran-3-yl)propanoic acid
2-amino-3-(1-benzofuran-3-yl)propanoic acid
beta-(3-Benzofuranyl)-DL-alanine
3-(1-Benzofuran-3-yl)alanine
72071-49-9
3-Benzofuranpropanoicacid, a-amino-
3-Benzofuranpropanoicacid, a-amino-, (?à)-
b-(3-Benzofuranyl)-DL-alanine

MDL Number

MFCD09842026

FAQ

What are the physical and chemical properties of 3-(1-Benzofuran-3-yl)alanine (CAS: 72071-49-9)?

3-(1-Benzofuran-3-yl)alanine (CAS: 72071-49-9) is a colorless crystalline solid with a molecular weight of approximately 224.22 g/mol. It has a high solubility in water, with a solubility of about 30 g/L at 25°C. Chemically, it is moderately reactive and can be used in various synthetic routes due to its functional groups. It is stable under normal conditions but may degrade under strong acid or base conditions.

How is 3-(1-Benzofuran-3-yl)alanine (CAS: 72071-49-9) typically synthesized?

3-(1-Benzofuran-3-yl)alanine (CAS: 72071-49-9) is typically synthesized via a condensation reaction between 3-bromobenzofuran and 2-aminoacetic acid in the presence of a base such as potassium carbonate. The reaction is selective and yields a high product purity, making it a useful key intermediate in organic synthesis.

What industries use 3-(1-Benzofuran-3-yl)alanine (CAS: 72071-49-9)?

3-(1-Benzofuran-3-yl)alanine (CAS: 72071-49-9) is primarily used in the pharmaceutical industry for drug synthesis and development. It can also be found in some polymer and semiconductor applications due to its unique chemical properties. Additionally, it has potential uses in sensor fabrication and other advanced materials research.

What precautions should be taken when handling 3-(1-Benzofuran-3-yl)alanine (CAS: 72071-49-9)?

When handling 3-(1-Benzofuran-3-yl)alanine (CAS: 72071-49-9), appropriate personal protective equipment (PPE) such as gloves and safety goggles should be worn. The compound should be stored in a well-ventilated area, preferably in a fume hood, to minimize exposure. In case of a spill, immediate clean-up should be conducted using appropriate absorbents, and the area should be thoroughly cleaned. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.