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Administrative data

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
15/11/2018-20/12/2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Non-GLP study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2019

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: ASTM E 537-07
Deviations:
no
GLP compliance:
no
Type of method:
differential scanning calorimetry

Test material

Constituent 1
Chemical structure
Reference substance name:
2-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(1H-imidazol-5-yl)propanamido]-2-methylpropanoic acid; trifluoroacetic acid
EC Number:
815-122-7
Cas Number:
1446013-08-6
Molecular formula:
C27H27F3N4O7
IUPAC Name:
2-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(1H-imidazol-5-yl)propanamido]-2-methylpropanoic acid; trifluoroacetic acid
Test material form:
solid: particulate/powder
Details on test material:
Target Substance Molecular Formula: C27H27F3N4O7
Target Substance Molecular Weight: 576.51 g/mol
Batch Number: 160004
Physical form and colour: Solid, White powder
Storage: Store at 2÷8°C

Results and discussion

Boiling point
Remarks on result:
not determinable
Remarks:
It is not possible to define whether the peaks are imputable to a boiling point, and it is not known whether the boiling noted during the analysis with the melting point is attributable to a boiling or an effervescence of the sample.

Applicant's summary and conclusion

Conclusions:
Since it is not possible to define whether the peaks are imputable to a boiling point, and it is not known whether the boiling noted during the analysis with the melting point is attributable to a boiling or an effervescence of the sample, it is therefore considered that the point boiling point is not determinable.
Executive summary:

The aim of this test is the determination of the boiling point of N-[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]-L-HISTIDYL-2-METHYLALANINE AND TRIFLUOROACETIC ACID (1:1); N.CAS

1446013 -08-6.

The test is performed in accordance to ASTM E 53707 (Differential scanning calorimetry method). It was not under GLP.

The sample is analyzed by means of the Dsc by executing this scan:

Weigh 5.425mg

1) Hold for 1.0 min at 0.00°C

2) Heat from 0.00°C to 250.00°C at 7.00°C/min

3) Cool from 250.00°C to 0.00°C at 7.00°C/min

4) Heat from 0.00°C to 250.00°C at 7.00°C/min

5) Cool from 250.00°C to 0.00°C at 7.00°C/min

6) Heat from 0.00°C to 20.00°C at 7.00°C/min

Subsequently a further scan is performed

Weighing 5,200mg

1) Hold for 1.0 min at 0.00°C

2) Heat from 0.00°C to 400.00°C at 5.00°C/min

3) Cool from 400.00°C to 0.00°C at 5.00°C/min

4) Heat from 0.00°C to 400.00°C at 5.00°C/min

5) Cool from 400.00°C to 0.00°C at 5.00°C/min

All the scans were carried out with a closed crucible, in an inert atmosphere of nitrogen.

The data obtained with the melting point apparatus:

  • 167.1°C
  • 164.7°C
  • 162.4°C

From the 0-250 °C scan, the first temperature ramp (1), we note the presence of 3 peaks corresponding to

the temperature of:

  • 184°C
  • 191°C
  • 202°C

From the second heating, no peak is known.

From the 0-40 °C scan, the first temperature ramp there are 3 peaks corresponding to the temperature:

  • 186°C
  • 191°C
  • 198°C

From the second heating, no peak is known.

Since it is not possible to define whether the peaks are imputable to a boiling point, and it is not known whether the boiling noted during the analysis with the melting point is attributable to a boiling or an effervescence of the sample, it is therefore considered that the point boiling point is not determinable.