N-Boc-N-methylethylenediamine
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N-Boc-N-methylethylenediamine
structure -
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CAS No:
121492-06-6
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Formula:
C8H18N2O2
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Chemical Name:
N-Boc-N-methylethylenediamine
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Synonyms:
BOC,ME-EDA;BOC-N-METHYLETHYLENEDIAMINE;BUTTPARK 90\06-19;(2-AMINO-ETHYL)-METHYL-CARBAMIC ACID TERT-BUTYL ESTER;1-BOC-1-METHYL-ETHYLENEDIAMINE;TERT-BUTYL N-(2-AMINOETHYL)-N-METHYLCARBAMATE;N-T-BUTYLOXYCARBONYL-N-METHYL-ETHYLENEDIAMINE;N-TERT-BUTYLOXYCARBONYL-N-METHYL-ETHYLENEDIAMINE
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CAS No:
Characteristics
55.6
0.2
Clear colorless to pale yellow Liquid
0.975 g/mL at 20 °C(lit.)
248-251 °C (decomp)
79°C/0.4mmHg(lit.)
>100 °C
n 20/D 1.447
0.0536mmHg at 25°C
Safety Information
Ⅲ
8
2734
3
34
26-36/37/39-45
C
P280-P305 + P351 + P338-P310
H314
|Danger|H314 (85.71%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
N-Boc-N-methylethylenediamine Use and Manufacturing
Di-tert-butyl dicarbonate (107 mg, 0.49 mmol) and triethylamine (0.07 ml, 0.49 mmol) were added to a solution of 2-bromoethanamine (100 mg, 0.49 mmol) in 1, 4-dioxane at 0tert-Butyl (2-ami noethyl)(methyl)carbamate Hydrazine hydrate (400, 8 mmol) was added dropwise to a solution of tert-butyl (2- (i, 3-dioxoisoindolin-2-yl)ethyl)(methyl)carbamate (i.2 g, 4 mmol) in MeOH (40 mL). Thenthe mixture was stirred at reflux for S h. After cooling to RT, the solution was filtered to remove insoluble materials and the filtrate was concentrated to dryness under reduced pressure to give an oily residue, to which was added CH2CI2 (iOO mL), and then washed with brine (15 ml). The organic solvent was dried (Na2504) and concentrated to dryness to give tert-butyl (2-aminoethyl)(methyl)carbamate (700 mg) as a colorless oil, which wascarried through without further purification.
Mono-protected building block.
Computed Properties
Molecular Weight:174.24
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:174.136827821
Monoisotopic Mass:174.136827821
Topological Polar Surface Area:55.6
Heavy Atom Count:12
Complexity:152
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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