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Diss Factsheets

Physical & Chemical properties

Melting point / freezing point

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Administrative data

Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
01 September - 22 December 2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2016
Report date:
2016

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 102 (Melting point / Melting Range)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.1 (Melting / Freezing Temperature)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7200 (Melting Point / Melting Range)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
differential scanning calorimetry

Test material

Constituent 1
Chemical structure
Reference substance name:
9-hydroxy-3-(2-hydroxyethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
EC Number:
605-935-3
Cas Number:
181525-38-2
Molecular formula:
C11H12N2O3
IUPAC Name:
9-hydroxy-3-(2-hydroxyethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Test material form:
solid: particulate/powder
Specific details on test material used for the study:
- Name of test material (as cited in study report): JNJ-200395-AAA (T002416)
- Physical state: solid
- Appearance: light yellow
- Analytical purity: >97.4%
- Batch n°: I14FB2740
- Expiration date: 26 June 2016
- Storage condition: at room temperature

Results and discussion

Melting / freezing point
Key result
Melting / freezing pt.:
ca. 147.5 °C
Atm. press.:
1 013.25 hPa
Decomposition:
yes
Decomp. temp.:
> 275 °C
Remarks on result:
other: A black molten residue remained after the preliminary test and a red/brown molten residue was observed after the main test, indicating reaction and/or decomposition.

Any other information on results incl. tables

Preliminary test

From the TGA curve it could be derived that the weight of the sample decreased significantly from 275°C onwards. At 352°C the sample weight has decreased by 25%. After the experiment, a black molten residue remained in the sample container (original colour: light yellow). The change of the colour indicated reaction and/or decomposition of the test item.

Main tests

In order to determine the melting more precisely, the DSC curve with a heating rate of 20°C/min showed an endothermic peak between 125°C and 175°C. The extrapolated onset temperature of the peak was 147.31°C. The effect was most likely obtained due to melting. A second endothermic peak followed by an exothermic signal between 275°C-352°C was observed due to reaction and/or decomposition of the test item. After the experiment, a red/brown molten residue remained. To investigate the melting peak between 125°C and 175°C, a repeated heating cycle was applied. The extrapolated onset temperature of the melting peak was 147.70°C. The melting temperature of T002416 was determined as the average melting temperature obtained from Experiment 1 and Experiment 2 and equals 147.5°C (421K).

Applicant's summary and conclusion

Conclusions:
The melting temperature of JNJ-200395-AAA (T002416) was determined at 147.5°C (421K) by using DSC.