cis-Octahydropyrrolo[3,4-b]pyridine
What is cis-Octahydropyrrolo[3,4-b]pyridine, cas no. 147459-51-6,a producer telling you the result.
CAS NO. 147459-51-6
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To begin with, let us tell you what is the basic information of cis-Octahydropyrrolo[3,4-b]pyridine CAS NO. 147459-51-6 ?
Molecular Formula |
C7H14N2 |
Molecular Weight |
126.200 |
Density |
0.950±0.06 g/cm3 |
Boiling Point |
198.5±8.0 °C at 760 mmHg |
Flash Point |
87.1±10.2 °C |
Exact Mass |
126.115700 |
Like many stuff, it has many synonyms as follows
cis-Octahydropyrrolo[3,4-b]pyridine |
Moxifloxacin Impurity 15 |
(R,R)-2,8-diazabicyclo[4,3,0]nonane |
(4aR,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine |
(4aR,7aR)-rel-Octahydro-1H-pyrrolo[3,4-b]pyridine |
First, the chemical is very special, some technical indexes as below
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Experimental characteristics
LogP 0.61540
PSA 24.06000
Refractive index 1.469
Boiling point 198.5 ° C at 760 mmHg
Flash point 87.1 ± 10.2 º C,
Solubility is easily soluble (279 g/L) (25 º C),
Density 0.950 ± 0.06 g/cm3 (20 º C 760 Torr),
Computational characteristics
Accurate molecular weight 126.11600
Number of hydrogen bond donors 2
Number of hydrogen bond acceptors 2
Number of rotatable chemical bonds 0
Isotope mass 126.116
Number of heavy atoms 9
Complexity 103
Isotope atomic number 0
Determine the number of atomic structure centers 2
Uncertain number of atomic structure centers 0
Determine the number of chemical bond stereocenters 0
Uncertain number of chemical bond stereocenters 0
Number of covalent bond units 1
Reference value for hydrophobic parameter calculation (XlogP) 0
Number of tautomeric variants N/A
Surface charge 0
Topological molecule polarity surface area 24.1
security information
Hazard Statement H302-H319
Warning statement P305+P351+P338
Storage conditions Keep in dark place, Inert atmosphere, 2-8 ° C
Signal word Warning
Second, the Synthetic Route we will recommend is the most important for your reference?
First, synthesis line of cis-Octahydropyrrolo[3,4-b]pyridine CAS NO. 147459-51-6 as follows
Starting from 8-benzyl-2,8-diazabicyclo [4.3.0] nonane, (R, R) -2,8-diazabicyclo [4.3.0] nonane with a content>99.5% was purified by L - (+) - tartaric acid separation, Pd/C catalytic hydrogenation and debenzylation, with a total yield of 66.5%
Third, what is the usage of cis-Octahydropyrrolo[3,4-b]pyridine CAS NO. 147459-51-6 ? pleas see below
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Mainly used for Impurity control and analysis detection
Besides Safety Information of cis-Octahydropyrrolo[3,4-b]pyridine CAS NO. 147459-51-6 is also important when handling it
Hazard Codes |
Xi |
WGK Germany |
3 |
H.S.Code: |
2933490090 |
TSCA |
Yes |
HazardClass |
IRRITANT |
What is the appearance of cis-Octahydropyrrolo[3,4-b]pyridine CAS NO. 147459-51-6? Please see the picture of cis-Octahydropyrrolo[3,4-b]pyridine CAS NO. 147459-51-6, below
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Specification of cis-Octahydropyrrolo[3,4-b]pyridine CAS NO. 147459-51-6, is below
Apperance: colorless clear liquid
Assay: 99 % min by GC
IR identity: conform
Water:0.1% max by K.F.
HNMR picture of cis-Octahydropyrrolo[3,4-b]pyridine CAS NO. 147459-51-6 is as follows,
Reference of Article cited for your reference below,
(1)
Indole derivative-containing inhibitor, preparation method therefor and application thereof
Publication Number: AU-2020277541-A1
Priority Date: 2019-05-22
(2)
- Synthesis of (4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridine
US-8680276-B2; Grant Date: 2014-03-25
(3)
- Synthesis of (4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridine
US-8680276-B2; Grant Date: 2014-03-25