DI-TERT-BUTYL IMINODIACETATE
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DI-TERT-BUTYL IMINODIACETATE
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CAS No:
85916-13-8
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Formula:
C12H23NO4
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Chemical Name:
DI-TERT-BUTYL IMINODIACETATE
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Synonyms:
DI-TERT-BUTYL IMINODIACETATE;N-BIS(T-BUTYLACETATE)AMINE;Iminodiacetic Acid Di-tert-butyl Ester;Di-tert-butyl 2,2'-azanediyldiacetate;(tert-Butoxycarbonylmethylamino)acetic acid tert-butyl ester;Di-tert-butyl 2,2'-iminobis[acetate];Di-tert-butyl iminodiacetate 98%;Di-tert-butyl Iminodiacetate
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CAS No:
Safety Information
NONH for all modes of transport
3
36/37/38
26-36/37/39
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
DI-TERT-BUTYL IMINODIACETATE Use and Manufacturing
In a 250 mL three-necked flask equipped with a thermometer, condenser and stirrer, 120 mL of methanol was added, and 120.0 g of t-butyl chloroacetate (0.8 mol) was heated to 65 ° C under mechanical stirring, and 5.1 g of ammonia gas (0.3 mol) was slowly introduced. After 2 hours, the reaction was kept for 5 hours.After the reaction was cooled to room temperature, the white solid ammonium chloride produced by the reaction was removed by filtration, and the filtrate was rotary evaporated to recover 110 mL of methanol, and the residue was cooled to 0 ° C.The solid was precipitated and filtered to give 23.3 g of di-tert-butyl iminodiacetate, m.p. 41.Di-tert-butyliminodiacetate (reference AW2) is a compound represented by structural formula (I) in which x=y=1, RA 66.18g (0.198 Mole) portion of di-tert-butyl (N-benzyl-3-aza)glutarate (hereinafter 'the diester') was dissolved in 200 mL of 90 percent ethanol (made by adding 180 mL of 95 percent ethanol to 20 mL of water).
Computed Properties
Molecular Weight:245.32
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:245.16270821
Monoisotopic Mass:245.16270821
Topological Polar Surface Area:64.6
Heavy Atom Count:17
Complexity:245
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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