2-Pyrimidinamine, 4-[4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl]-N-[2-methoxy-4-(4-morpholinyl)-5-nitrophenyl]-

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

12 Jan 2021 to 18 Mar 2021

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2021

Report date:

2021

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Version / remarks:

March 04, 2016

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Version / remarks:

July 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 (incl. QA statement)

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

4-[4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl]-N-[2-methoxy-4-(morpholin-4-yl)-5-nitrophenyl]pyrimidin-2-amine

Cas Number:

1903009-55-1

Molecular formula:

C27H30N8O4

IUPAC Name:

4-[4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl]-N-[2-methoxy-4-(morpholin-4-yl)-5-nitrophenyl]pyrimidin-2-amine

Test material form:

solid: particulate/powder

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
Batch (Lot) Number: I20HD2581
Expiry date: 15 August 2022
Physical Description: Yellow powder
Purity: 97.1%
Purity/Composition correction factor: Yes, correction factor is 1.00

STORAGE CONDITIONS
Storage Conditions: At room temperature

Results and discussion

Boiling point

Key result

Decomposition:

yes

Decomp. temp.:

225 °C

Remarks on result:

not determinable

Any other information on results incl. tables

Preliminary Test
Starting at 250°C, the weight of the sample decreased significantly. At 375°C, the sample weight had decreased by 25%.
After the experiment, a black molten residue remained in the sample container (original colour: Yellow). The change of the colour indicated reaction and/or decomposition of the test item.

Main Study
An endothermic effect was observed between 200°C and 225°C directly followed by a strong exothermic effect. The extrapolated onset temperature of the first effect was 216.518°C. The endothermic effect was most likely obtained due to melting of the test item. The exothermic effect was probably obtained due to reaction and/or decomposition of the test item.
After the experiment, a black molten residue remained in the sample container (original colour: Yellow). The change of the colour indicated reaction and/or decomposition of the test item. Based on this visual observation, it was found that the test item had molten and the change of the colour demonstrated reaction and/or decomposition of the test item.
In order to investigate the endothermic effect, Experiment 2 was stopped directly after the melting effect. The extrapolated onset temperature was 216.745°C. After the experiment, a red brown molten residue remained in the sample container (original colour: yellow). The change of the colour indicated reaction and/or decomposition of the test item. Based on this visual observation, it was found that the test item had molten and the change of the colour demonstrated reaction and/or decomposition of the test item.

Applicant's summary and conclusion

Conclusions:

Boiling of the test item was not observed below the temperature at which reaction and/or decomposition started. Based on this, the test item has no boiling temperature.