N-Acetyl 6-chlorotryptophan

Basic Information

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CAS Number

50517-10-7

Molecular Formula

C13H13ClN2O3

Molecular Weight

280.71 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

170-173°C

SMILES

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CC(=O)NC(CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C13H13ClN2O3/c1-7(17)16-12(13(18)19)4-8-6-15-11-5-9(14)2-3-10(8)11/h2-3,5-6,12,15H,4H2,1H3,(H,16,17)(H,18,19)

InChIKey

LCLMWFCLWYOLIO-UHFFFAOYSA-N

LogP

1.9530999999999998

Topological Polar Surface Area

82.19 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

364

Synonyms & References

English

N-Acetyl 6-Chlorotryptophan
2-acetamido-3-(5-methyl-1H-indol-3-yl)propanoic Acid
AC1MO62N
AC1Q1KGD
AG-G-82682
AmbotzAAA1949
CTK5D5287
N-ACETYL-5-METHYL-DL-TRYPTOPHAN
Nα-Acetyl-5-methyl-tryptophan
Nα-acetyl-6-chloro-D,L-tryptophan
SureCN5717906
Tryptophan,N-acetyl-5-methyl-
3-(6-CHLORO-1H-INDOL-3-YL)-2-ACETAMIDOPROPANOIC ACID
N-Acetyl-6-chloro-L-tryptophan
AKOS017553764
N-Acetyl-6-chloro-DL-tryptophan
50517-10-7
59767-02-1
(R)-2-acetamido-3-(6-chloro-1H-indol-3-yl)propanoic acid
N-Acetyl-6-chlorotryptophan
BRD-A59071739-001-01-4
SCHEMBL11278871
DTXSID40512177
EN300-17526949
AB53636
2-acetamido-3-(6-chloro-1H-indol-3-yl)propanoic acid
N-ACETYL 6-CHLOROTRYPTOPHAN
ACon1_001701
SY301129
SY308483

MDL Number

MFCD09756731

FAQ

What are the physical and chemical properties of N-Acetyl 6-Chlorotryptophan (CAS: 50517-10-7)?

N-Acetyl 6-Chlorotryptophan (CAS: 50517-10-7) is a white crystalline solid. Its molecular weight is approximately 274.7 g/mol. It is slightly soluble in water and ethanol. Chemically, it is highly reactive towards nucleophiles and can undergo substitution reactions. This compound is used in various synthetic pathways and research applications.

How is N-Acetyl 6-Chlorotryptophan (CAS: 50517-10-7) typically synthesized?

N-Acetyl 6-Chlorotryptophan (CAS: 50517-10-7) is typically synthesized via the acetylation of 6-chlorotryptophan followed by appropriate purification steps. The reaction involves the use of acetic anhydride and a base such as pyridine, followed by recrystallization to obtain the crystalline form. This method provides good yield and selectivity.

What industries use N-Acetyl 6-Chlorotryptophan (CAS: 50517-10-7)?

N-Acetyl 6-Chlorotryptophan (CAS: 50517-10-7) is primarily used in the pharmaceutical industry for the development of certain drugs. It is also used in research and development in the polymer industry for the synthesis of novel materials. Additionally, it has applications in sensors and semiconductors.

What precautions should be taken when handling N-Acetyl 6-Chlorotryptophan (CAS: 50517-10-7)?

N-Acetyl 6-Chlorotryptophan (CAS: 50517-10-7) should be handled with care due to its reactivity. It must be stored in a cool, dry place away from direct sunlight. Protective equipment such as gloves and goggles should be worn. It should be handled in a well-ventilated area or a fume hood. In case of spill, it should be cleaned up using appropriate personal protective equipment and decontamination materials. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.