1,1-Dimethylethyl (4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
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1,1-Dimethylethyl (4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
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CAS No:
125995-13-3
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Formula:
C14H27NO4
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Chemical Name:
1,1-Dimethylethyl (4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
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Synonyms:
1,3-Dioxane-4-acetic acid,6-(2-aminoethyl)-2,2-dimethyl-,1,1-dimethylethyl ester,(4R,6R)-;1,3-Dioxane-4-acetic acid,6-(2-aminoethyl)-2,2-dimethyl-,1,1-dimethylethyl ester,(4R-cis)-;1,1-Dimethylethyl (4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate;(4R-cis)-1,1-Dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate;[(4R,6R)-6-(2-Aminoethyl)-2,2-dimethyl-[1,3]dioxan-4-yl]acetic acid tert-butyl ester;[(4R,6R)-6-(2-Aminoethyl)-2,2-dimethyl-[1,3]dioxan-4-yl]acetic acid tert-butyl ester
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CAS No:
1,1-Dimethylethyl (4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate Basic Attributes
273.37
273.37
29153900
Characteristics
70.8
1.1
Light yellowish oily liquid
0.992±0.06 g/cm3(Predicted)
339.8±17.0 °C(Predicted)
96.8ºC
1.454-1.456
8.94E-05mmHg at 25°C
Safety Information
24/25
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1,1-Dimethylethyl (4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate Use and Manufacturing
An impurity of Atorvastatin (A791750). (4R,6R)-tert-Butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate is an useful synthetic intermediate.
Computed Properties
Molecular Weight:273.37
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:273.19400834
Monoisotopic Mass:273.19400834
Topological Polar Surface Area:70.8
Heavy Atom Count:19
Complexity:309
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,1-Dimethylethyl (4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
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