2-Chloro-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

25 Feb - 07 Mar 2014

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2014

Report date:

2014

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Version / remarks:

May 31, 2008

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Version / remarks:

Jul 27, 1995

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7220 (Boiling Point / Boiling Range)

Version / remarks:

August 1996

Deviations:

no

GLP compliance:

yes

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

2-chloro-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

Cas Number:

1211443-61-6

Molecular formula:

C14 H17 Cl N4 O

IUPAC Name:

2-chloro-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

Results and discussion

Boiling point

Atm. press.:

ca. 1 013 hPa

Decomposition:

yes

Decomp. temp.:

> 325 °C

Remarks on result:

other: Boiling of the test substance was not observed below the temperature at which reaction and/or decomposition started.

Remarks:

The pressure was not measured/reported. Atmospheric pressure (ca. 1013 hPa) can be assumed as the sample container was perforated.

Any other information on results incl. tables

Preliminary test

From 300 °C upwards the weight of the sample decreased significantly. At 374 °C the sample weight had decreased by 25 %.

After the experiment, a charred residue remained in the sample container (original colour: beige). The change of the colour indicated reaction and/or decomposition of the test substance.

Main study

In the DSC-curve obtained with Experiment 1 two endothermic peaks between 75 °C and 125 °C were observed. The extrapolated onset temperature of the first peak was 88.29 °C. The effects were possibly obtained due to melting of the test substance combined with reaction / decomposition. Starting at 325 °C the DSC curve showed a strong exothermic peak. The effect was most likely obtained due to reaction and/or decomposition of the test substance. After the experiment, a charred residue remained in the sample container.

To investigate the melting peak a repeated heating cycle was applied in the second experiment. With the first heating the extrapolated onset temperature of the melting peak was 88.25 °C. During cooling and second heating no effects were found. From 325 °C onward, the strong exothermic effect was observed at similar temperatures as Experiment 1. After the experiment, a charred residue remained in the sample container.

Experiment 3 was performed to visually investigate the melting peak. The temperature program was stopped directly after melting. The extrapolated onset temperature of the peak was 88.90 °C. After the experiment, a yellowish to orange molten residue remained in the sample container. The results demonstrated that the test substance has a melting point at 88 °C. The slightly change of the colour indicated reaction and/or decomposition of the test substance.

Conclusion

Reaction and/or decomposition of the test substance was observed at temperatures of > 325 °C (> 598 K). Boiling of the test substance was not observed below the temperature at which reaction and/or decomposition started. Based on this, the test substance has no boiling temperature.

Applicant's summary and conclusion

Conclusions:

The substance decomposes before boiling, starting at a temperature > 325 °C.