7-CHLORO-1-INDANONE Chemical Properties

Melting point:

98 °C

Boiling point:

288.2±29.0 °C(Predicted)

Density 

1.312±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

Appearance

Off-white to yellow Solid

InChI

InChI=1S/C9H7ClO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3H,4-5H2

InChIKey

YNFZQNGHYQYLCF-UHFFFAOYSA-N

SMILES

C1(=O)C2=C(C=CC=C2Cl)CC1

CAS DataBase Reference

34911-25-6(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn

Risk Statements 

36/37/38-22

Safety Statements 

26-36/37/39

HS Code 

2914390090

7-CHLORO-1-INDANONE Usage And Synthesis

Uses

7-Chloro-1-indanone is a reagent used to synthesize tetracyclic quinoline and quinoxaline carboxamides which are used as therapeutic topoisomerase inhibitors.

Synthesis

Dichloromethane (400 mL) was added to the crude product (compound-II-a) under ice bath conditions. A solution of titanium tetrachloride (11.3 g) in dichloromethane (50 mL) was slowly added dropwise, the internal temperature of the reaction system was controlled to be less than 10°C, followed by a slow warming up to room temperature with continuous stirring. The progress of the reaction was monitored by gas chromatography until the amount of raw material remaining was less than 3% (about 8 hours). Upon completion of the reaction, the reaction solution was poured into ice water (~2 L) and extracted with dichloromethane to combine the organic phases. The organic phase was dried over anhydrous sodium sulfate, filtered and concentrated to give the crude product. Purification by fast column chromatography (eluent ratio: ethyl acetate/petroleum ether = 1:10) gave a light yellow solid target product (compound-III-a, 21.66 g) in 65% yield.

References

[1] Bioorganic and Medicinal Chemistry, 1999, vol. 7, # 12, p. 2801 - 2809
[2] Patent: CN108164408, 2018, A. Location in patent: Paragraph 0026; 0028; 0030

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