| Identification | More | [Name]
N-Boc-N-methylethylenediamine | [CAS]
121492-06-6 | [Synonyms]
1-BOC-1-METHYL-ETHYLENEDIAMINE
(2-AMINO-ETHYL)-METHYL-CARBAMIC ACID TERT-BUTYL ESTER
BOC,ME-EDA
BOC-N-METHYLETHYLENEDIAMINE
BUTTPARK 90\06-19
N-(2-AMINOETHYL)-N-BOC-METHYLAMINE
N-(2-AMINOETHYL)-N-METHYL CARBAMIC ACID TERT-BUTYL ESTER
N-BOC-N-METHYLETHYLENEDIAMINE
N-T-BUTYLOXYCARBONYL-N-METHYL-ETHYLENEDIAMINE
N-TERT-BUTYLOXYCARBONYL-N-METHYL-ETHYLENEDIAMINE
TERT-BUTYL N-(2-AMINOETHYL)-N-METHYLCARBAMATE
N-(2-Aminoethyl)-N-methyl carbamic acid tert-butyl | [Molecular Formula]
C8H18N2O2 | [MDL Number]
MFCD01317789 | [Molecular Weight]
174.24 | [MOL File]
121492-06-6.mol |
| Chemical Properties | Back Directory | [Appearance]
Liquid | [Melting point ]
248-251 °C (decomp) | [Boiling point ]
79°C/0.4mmHg(lit.) | [density ]
0.975 g/mL at 20 °C(lit.)
| [refractive index ]
n20/D 1.447
| [Fp ]
>100 °C | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Liquid | [pka]
9.44±0.10(Predicted) | [color ]
Clear colorless to pale yellow | [Detection Methods]
GC/HPLC | [BRN ]
3588326 | [InChI]
InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10(4)6-5-9/h5-6,9H2,1-4H3 | [InChIKey]
QYJVBVKFXDHFPQ-UHFFFAOYSA-N | [SMILES]
C(OC(C)(C)C)(=O)N(CCN)C | [CAS DataBase Reference]
121492-06-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
2734 | [WGK Germany ]
3 | [HazardClass ]
8 | [PackingGroup ]
Ⅲ | [HS Code ]
2924190090 |
| Hazard Information | Back Directory | [Chemical Properties]
Liquid | [reaction suitability]
reagent type: cross-linking reagent | [Synthesis]
Step 1: N-methylethylenediamine (11.8 mL, 134.9 mmol) was dissolved in acetonitrile (300 mL) and cooled to -30 °C. Subsequently, triethylamine (TEA, 7.46 mL, 53.9 mmol) was added to this solution, followed by dropwise addition of di-tert-butyl dicarbonate (Boc2O, 9.81 g, 45 mmol) in acetonitrile solution. The reaction mixture was stirred at room temperature for 2 hours. After completion of the reaction, the insoluble material was removed by Celite filtration. The filtrate was purified by silica gel column chromatography (elution gradient: 1:50→1:20→1:10 ethyl acetate/hexane) to afford tert-butyl N-(2-aminoethyl)-N-methylcarbamate (CXVIII) as a yellow oil (5.2 g, 29.9 mmol, 66% yield). The product was confirmed by electrospray ionization mass spectrometry (ESIMS) with molecular formula C8H18N2O2, m/z 175 (M + H). | [References]
[1] Patent: US2008/318957, 2008, A1. Location in patent: Page/Page column 72; 73
[2] Journal of Medicinal Chemistry, 2000, vol. 43, # 16, p. 3093 - 3102 |
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