ChemicalBook--->CAS DataBase List--->442514-22-9

442514-22-9

442514-22-9 Structure

442514-22-9 Structure
IdentificationBack Directory
[Name]

tert-Butyl 3-(methylamino)propylcarbamate
[CAS]

442514-22-9
[Synonyms]

N-Boc-3-(methylamino)propanamine
Boc-3-methylamino-propylcarbamate
3-N-Boc-N1-methylpropane-1,3-diamine
1-BOC-AMINO-3-METHYLAMINO-PROPANE-HCl
Boc-3-MethylaMino-propylcarbaMate HCl
tert-Butyl 3-(methylamino)propylcarbamate
Tert-butyl N-[3-(MethylaMino)propyl]carbaMate
(3-Methylamino-propyl)-carbamic acid tert-butyl ester
Carbamic acid, N-[3-(methylamino)propyl]-, 1,1-dimethylethyl ester
[Molecular Formula]

C9H20N2O2
[MDL Number]

MFCD06808586
[MOL File]

442514-22-9.mol
[Molecular Weight]

188.27
Chemical PropertiesBack Directory
[Boiling point ]

280.3±23.0 °C(Predicted)
[density ]

0.949±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[pka]

12.82±0.46(Predicted)
[Appearance]

Colorless to light yellow Liquid
[InChI]

InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11-7-5-6-10-4/h10H,5-7H2,1-4H3,(H,11,12)
[InChIKey]

YIMSPDZAVBIXRT-UHFFFAOYSA-N
[SMILES]

C(OC(C)(C)C)(=O)NCCCNC
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2924297099
Spectrum DetailBack Directory
[Spectrum Detail]

tert-Butyl 3-(methylamino)propylcarbamate(442514-22-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

Carbamic acid, N-[3-[[(1,1-dimethylethoxy)carbonyl]amino]propyl]-N-methyl-, phenylmethyl ester

1158721-71-1

tert-Butyl 3-(methylamino)propylcarbamate

442514-22-9

The general procedure for the synthesis of tert-butyl 2-(methylamino)propylcarbamate using the compound (CAS:1158721-71-1) as starting material was as follows: compound 20 (12 g, 0.037 mol) was dissolved in 100 mL of methanol and 0.5 g of 5% Pd/C catalyst was added. The hydrogenation reaction was carried out at 60 psi hydrogen pressure for 45 minutes. Upon completion of the reaction, the catalyst was removed by filtration and the solvent was removed by distillation under reduced pressure to afford the target product tert-butyl 2-(methylamino)propylcarbamate as a colorless oil (6 g, 65% yield).

[References]

[1] Patent: US2009/137618, 2009, A1. Location in patent: Page/Page column 12-13
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