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Product Information |
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Product name |
(1S,3S,5S)-3-(Aminocarbonyl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid tert-butyl ester / Saxagliptin intermediate |
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CAS No. |
361440-67-7 |
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Molecular Formula |
C11H18N2O3 |
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Molecular Weight |
226.276 |
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Quality Standard |
98% up by HPLC |
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Appearance |
White to off-white powder |
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COA of (1S,3S,5S)-3-(Aminocarbonyl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid tert-butyl ester
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ITEMS |
SPECIFICATION |
RESULT |
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Appearance |
White to off-white powder |
Conforms |
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Identification by HPLC |
The retention time of sample major peak complies to reference standard |
Conforms |
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Related impurity |
≤ 2.0% |
1.30% |
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Loss on drying |
≤ 1.0% |
0.3% |
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Purity（HPLC） |
≥ 98.0% |
98.70% |
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Conclusion |
The sample confirm to the In-house standard |
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Usage |
(1S,3S,5S)-3-(Aminocarbonyl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid tert-butyl ester is one of key Intermediate of Saxagliptin.
Physical properties about (1S,3S,5S)-3-(Aminocarbonyl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid tert-butyl ester are:
(1)ACD/LogP: -0.534;
(2)ACD/LogD (pH 5.5): -0.53;
(3)ACD/LogD (pH 7.4): -0.53;
(4)ACD/BCF (pH 5.5): 1.00;
(5)ACD/BCF (pH 7.4): 1.00;
(6)ACD/KOC (pH 5.5): 12.20;
(7)ACD/KOC (pH 7.4): 12.20;
(8)#H bond acceptors: 5;
(9)#H bond donors: 2;
(10)#Freely Rotating Bonds: 3;
(11)Index of Refraction: 1.538;
(12)Molar Refractivity: 57.6 cm3;
(13)Molar Volume: 184.139 cm3;
(14)Polarizability: 22.834 10-24cm3;
(15)Surface Tension: 49.5180015563965 dyne/cm;
(16)Density: 1.229 g/cm3;
(17)Flash Point: 189.024 °C;
(18) Enthalpy of Vaporization: 63.821 kJ/mol;
(19)Boiling Point: 388.94 °C at 760 mmHg
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