N-[4-[4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl]pyrimidin-2-yl]-6-methoxy-4-(morpholin-4-yl)benzene-1,3-diamine

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

12 Jan 2021 - 17 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:

2016

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Version / remarks:

1995

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7220 (Boiling Point / Boiling Range)

Version / remarks:

1996

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Test material

Test material information

1

Reference substance name:

N-[4-[4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl]pyrimidin-2-yl]-6-methoxy-4-(morpholin-4-yl)benzene-1,3-diamine

Cas Number:

1903009-56-2

Molecular formula:

C27H32N8O2

IUPAC Name:

N-[4-[4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl]pyrimidin-2-yl]-6-methoxy-4-(morpholin-4-yl)benzene-1,3-diamine

Test material form:

solid: particulate/powder

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Batch (Lot) Number: I20ID2980
- Purity/Composition: 95.0%
- Purity/Composition correction factor: 1.0
- Purity test date : 2020-10-26
- Expiry date: 17 September 2022 (retest date)
- Physical Description: Beige powder

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature


TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Final preparation of a solid: not applicable, the solid test item was transferred directly into the DSC cell

Results and discussion

Boiling point

Key result

Boiling pt.:

> 300 °C

Atm. press.:

1 013.25 hPa

Decomposition:

yes

Decomp. temp.:

300 °C

Any other information on results incl. tables

Preliminary Test
Starting at 350°C, the weight of the sample decreased significantly. At 380°C, the sample weight had decreased by 25%.
After the experiment, a black molten residue remained in the sample container (original colour: Beige). The change of the colour indicated reaction and/or decomposition of the test item.

Main Study
An endothermic effect was observed between 175°C and 200°C followed by an exothermic effect starting at 300°C. The extrapolated onset temperature of the first effect was 183.686°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: Beige). 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 183.614°C. After the experiment, an orange brown molten residue remained in the sample container (original colour: beige). 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.