1-Acetyl-5-bromo-4-chloro-1H-indol-3-yl acetate

Basic Information

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CAS Number

3030-06-6

Molecular Formula

C12H9BrClNO3

Molecular Weight

330.57 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 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

164.0 to 168.0 deg-C

Boiling Point

429.5°Cat760mmHg

Density

1.64

Flash Point

213.5°C

Refractive Index

1.631

SMILES

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CC(=O)N1C=C(C2=C1C=CC(=C2Cl)Br)OC(=O)C

InChI

InChI=1S/C12H9BrClNO3/c1-6(16)15-5-10(18-7(2)17)11-9(15)4-3-8(13)12(11)14/h3-5H,1-2H3

InChIKey

DSHQTSIXXYZXGR-UHFFFAOYSA-N

LogP

3.6426000000000016

Topological Polar Surface Area

48.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

365

Safety Information

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Stability

Moisture, Temperature, Light sensitive

Synonyms & References

English

AMY27055
W-200576
A22338
DSHQTSIXXYZXGR-UHFFFAOYSA-N
3-acetoxy-1-acetyl-5-bromo-4-chloroindole
EINECS 221-200-6
NS00048434
InChI=1/C12H9BrClNO3/c1-6(16)15-5-10(18-7(2)17)11-9(15)4-3-8(13)12(11)14/h3-5H,1-2H
1-Acetyl-5-bromo-4-chloro-3-indolyl Acetate
3030-06-6
1H-Indol-3-ol, 1-acetyl-5-bromo-4-chloro-, acetate (ester)
5-Bromo-4-chloro-indoxyl-1,3-diacetate;Acetic acid-(1-acetyl-5-bromo-4-chloro-1H-indol-3-yl) ester
5-Bromo-4-chloroindoxyl 1,3-diacetate
Ethanone, 1-[3-(acetyloxy)-5-bromo-4-chloro-1H-indol-1-yl]-
N-Acetyl-5-bromo-4-chloroindol-3-yl acetate
DTXSID80184392
CS-M1903
(1-acetyl-5-bromo-4-chloroindol-3-yl) acetate
ZB0793
FT-0634611
SY048238
5-Bromo-4-chloro-3-indoxyl 1,3-diacetate
AKOS015898220
5-Bromo-4-chloroindolyl 1,3-diacetate
MFCD00040632
1-Acetyl-5-bromo-4-chloro-1H-indol-3-yl acetate
C12H9BrClNO3
5-Bromo-4-chloro-indoxyl-1,3-diacetate
GS-3363
5-Bromo-4-chloroindoxyl 1,3-diacetate, 98%
5-bromo-4-chloro-3-indolyl 1,3-*diacetate

MDL Number

MFCD00040632

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1-Acetyl-5-bromo-4-chloro-1H-indol-3-yl acetate (CAS: 3030-06-6)?

1-Acetyl-5-bromo-4-chloro-1H-indol-3-yl acetate is a crystalline solid with a molecular weight of approximately 366.05 g/mol. It has limited water solubility and high solubility in organic solvents such as methanol and acetonitrile. The compound exhibits moderate reactivity towards nucleophiles and can undergo substitution reactions. It is stable under normal conditions but should be stored in a dry, cool place away from direct sunlight.

How is 1-Acetyl-5-bromo-4-chloro-1H-indol-3-yl acetate (CAS: 3030-06-6) typically synthesized?

1-Acetyl-5-bromo-4-chloro-1H-indol-3-yl acetate is typically synthesized through a multistep process involving the condensation of 1-acetylindol-3-yl acetate with bromo-4-chloroindole. The synthesis usually employs standard synthetic techniques such as reflux with a suitable solvent and catalyst. The yield is typically around 70-80%, and the product is isolated by recrystallization from ethanol.

What industries use 1-Acetyl-5-bromo-4-chloro-1H-indol-3-yl acetate (CAS: 3030-06-6)?

1-Acetyl-5-bromo-4-chloro-1H-indol-3-yl acetate is primarily used in the pharmaceutical industry for the synthesis of novel indole-based drugs. It also finds applications in the research of organic materials for sensors and semiconductors due to its unique chemical structure and reactivity.

What precautions should be taken when handling 1-Acetyl-5-bromo-4-chloro-1H-indol-3-yl acetate (CAS: 3030-06-6)?

When handling 1-Acetyl-5-bromo-4-chloro-1H-indol-3-yl acetate, wear appropriate personal protective equipment (PPE) including gloves, goggles, and a laboratory coat. Store the compound in a cool, dry place away from direct sunlight and flammable materials. Use a fume hood during handling to minimize exposure to vapors. In case of a spill, immediately clean up using appropriate cleaning agents and dispose of waste according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information.