Cyclopentane-1,2-dicarboximude Chemical Properties

Melting point:

168 °C (dec.)

Boiling point:

322.2±11.0 °C(Predicted)

Density 

1.242±0.06 g/cm3(Predicted)

vapor pressure 

0.017-0.031Pa at 20-25℃

storage temp. 

Sealed in dry,Room Temperature

solubility 

Acetonitrile (Slightly), Chloroform (Slightly)

pka

11.97±0.20(Predicted)

form 

Solid

color 

White to Off-White

InChI

InChI=1S/C7H9NO2/c9-6-4-2-1-3-5(4)7(10)8-6/h4-5H,1-3H2,(H,8,9,10)

InChIKey

QCWDCTDYSDJKTP-UHFFFAOYSA-N

SMILES

N1C(=O)C2CCCC2C1=O

Surface tension

71.9mN/m at 1g/L and 20℃

Cyclopentane-1,2-dicarboximude Usage And Synthesis

Uses

1,2-Cyclopentanedicarboximide was used as a reactant for [(benzopyranyl)amino]alkyl]azabicyclooctanedione anxiolytic,

Synthesis

The general procedure for the synthesis of 1,2-cyclopentanedicarboxylic acid and formamide (CAS: 77287-34-4) as raw materials for the synthesis of 1,2-cyclopentanedicarboxylic acid is as follows: 50 g of 1,2-cyclopentanedicarboxylic acid and 15 g of formamide were mixed, and the reaction was carried out by raising the temperature up to 170 °C under the protection of nitrogen while evaporating the low-boiling by-products. The reaction progress was monitored by HPLC and terminated when the residual amount of raw material was less than 0.2%. After the reaction solution was cooled to 80 °C, 50 g of deionized water and 0.5 g of activated carbon were added and stirred at 50 °C for 30 min. The reaction mixture was thermally filtered and the filtrate was cooled to 20 °C and extracted with dichloromethane. The organic phase was concentrated to no fraction and dried at 90 °C. Subsequently 100 g of toluene was added, the mixture was cooled to 5 °C and dried under reduced pressure at 40 °C to give about 60.6 g of white crystal product. The yield of this step was 93.5% and the product was ≥99% pure and ≥98% content.

References

[1] Patent: CN106866495, 2017, A. Location in patent: Paragraph 0016; 0017; 0018; 0019; 0020

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