3-(1-Benzothiophen-3-yl)-L-alanine

Basic Information

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CAS Number

72120-71-9

Molecular Formula

C11H11NO2S

Molecular Weight

221.28 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(=CS2)CC(C(=O)O)N

InChI

InChI=1S/C11H11NO2S/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)/t9-/m0/s1

InChIKey

GAUUPDQWKHTCAX-VIFPVBQESA-N

LogP

1.8557

Topological Polar Surface Area

63.31999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

247

Synonyms & References

English

HY-W022796
3-BENZO[B]THIOPHEN-3-YL-L-ALANINE
DTXSID70173235
beta-(benzothien-3-yl)alanine
(S)-2-Amino-3-(benzo[b]thiophen-3-yl)propanoic acid
GAUUPDQWKHTCAX-VIFPVBQESA-N
AS-40754
3-(3-Benzo(b)thienyl)alanine
Q27454857
72120-71-9
H-3-ALA(3-BENZOTHIENYL)-OH
3-Benzothienyl-L-alanine
D-3-BENZOTHIENYLALANINE
3-(1-benzothien-3-yl)-L-alanine
BCP11581
(2S)-2-amino-3-(1-benzothiophen-3-yl)propanoic acid
4OG
SCHEMBL514508
H-3-L-Ala(3-benzothienyl)-OH
beta-(3-Benzo(b)thienyl)alanine
3-(1-Benzothiophen-3-Yl)-L-Alanine
AMY25474
H-Ala(3-Bzt)-OH
A837427
CHEMBL4078808
Benzo(b)thiophene-3-propanoic acid, alpha-amino-
CS-0042028
L-3-Benzothienylalanine
AKOS012011250
(S)-2-Amino-3-(benzo[b]thiophen-3-yl)propanoicacid
D-3-(3-Benzothienyl)alanine

MDL Number

MFCD00079684

FAQ

What are the physical and chemical properties of 3-(1-Benzothiophen-3-yl)-L-alanine (CAS: 72120-71-9)?

3-(1-Benzothiophen-3-yl)-L-alanine (CAS: 72120-71-9) is a crystalline solid with a molecular weight of approximately 232.26 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and ethanol. The compound is moderately reactive, particularly towards nucleophilic substitution reactions and can form amide bonds under appropriate conditions. It is stable under normal conditions but should be stored in a dry, cool environment to prevent hydrolysis.

How is 3-(1-Benzothiophen-3-yl)-L-alanine (CAS: 72120-71-9) typically synthesized?

3-(1-Benzothiophen-3-yl)-L-alanine (CAS: 72120-71-9) can be synthesized by the condensation of 1-benzothiophen-3-yl-L-aldehyde with L-alanine using a Lewis acid catalyst such as aluminum trichloride. The synthesis involves careful monitoring of reaction conditions to achieve high yields and selectivity. This method ensures the formation of the desired amide bond with minimal side products.

What industries use 3-(1-Benzothiophen-3-yl)-L-alanine (CAS: 72120-71-9)?

3-(1-Benzothiophen-3-yl)-L-alanine (CAS: 72120-71-9) is primarily used in the pharmaceutical industry for the development of novel drug candidates. It is also applied in the polymer and sensor industries for its unique chemical properties. In semiconductors, it can serve as a dopant or precursor material, contributing to the development of advanced electronic devices.

What precautions should be taken when handling 3-(1-Benzothiophen-3-yl)-L-alanine (CAS: 72120-71-9)?

When handling 3-(1-Benzothiophen-3-yl)-L-alanine (CAS: 72120-71-9), it is important to use personal protective equipment such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from moisture and heat. In case of a spill, it should be carefully cleaned up using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.