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849020-94-6

849020-94-6 Structure

849020-94-6 Structure
IdentificationBack Directory
[Name]

tert-Butyl 2-(aminomethyl)phenylcarbamate
[CAS]

849020-94-6
[Synonyms]

2-(Boc-amino)benzylamine
2-(Aminomethyl)-N-Boc-aniline
2-(Aminomethyl)aniline, 1-BOC protected
2-(tert-Butoxycarbonylamino)benzylamine
TERT-BUTYL 2-(AMINOMETHYL)PHENYLCARBAMATE
ert-Butyl N-(2-aminomethylphenyl)carbamate
2-(Aminomethyl)aniline, 1-BOC protected 95+%
tert-Butyl N-[2-(aminomethyl)phenyl]carbamate
tert-Butyl 2-(aminomethyl)phenylcarbamate ISO 9001:2015 REACH
Carbamic acid, N-[2-(aminomethyl)phenyl]-, 1,1-dimethylethyl ester
2-[(tert-Butoxycarbonyl)amino]benzylamine, tert-Butyl [2-(aminomethyl)phenyl]carbamate
[Molecular Formula]

C12H18N2O2
[MDL Number]

MFCD04037902
[MOL File]

849020-94-6.mol
[Molecular Weight]

222.28
Chemical PropertiesBack Directory
[Boiling point ]

238-242℃
[density ]

1.054g/mLat 25℃
[Fp ]

71°C
[storage temp. ]

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

liquid
[pka]

13.67±0.70(Predicted)
[Appearance]

Off-white to light yellow Solid
[InChI]

1S/C12H18N2O2/c1-12(2,3)16-11(15)14-10-7-5-4-6-9(10)8-13/h4-7H,8,13H2,1-3H3,(H,14,15)
[InChIKey]

BFFRNSYPZZUZDR-UHFFFAOYSA-N
[SMILES]

CC(C)(C)OC(=O)Nc1ccccc1CN
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-43
[Safety Statements ]

36/37
[RIDADR ]

NA 1993 / PGIII
[WGK Germany ]

3
[HS Code ]

2921490090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Skin Sens. 1
Hazard InformationBack Directory
[Uses]

Reactant for:
  • Two-step syntheses of fused quinoxaline-benzodiazepines and bis-benzodiazepines employing a double UDC (Ugi/Deprotect/Cyclize) strategy
  • Preparation of hydroquinazoline scaffolds via microwave-promoted Ugi reaction and cyclization
  • Preparation of pyrazinone inhibitors of mast cell tryptase
[Uses]

Tert-Butyl 2-(aminomethyl)phenylcarbamate can be used as reactant for Two-step syntheses of fused quinoxaline-benzodiazepines and bis-benzodiazepines employing a double UDC (Ugi/Deprotect/Cyclize)
[Synthesis]

Di-tert-butyl dicarbonate

24424-99-5

2-AMINOBENZYLAMINE

4403-69-4

tert-Butyl 2-(aminomethyl)phenylcarbamate

849020-94-6

Example 1 Synthesis of tert-butyl N-[2-(aminomethyl)phenyl]carbamate: To an anhydrous dichloromethane (30 mL) solution of 2-aminobenzylamine (2.440 g, 20.0 mmol), an anhydrous dichloromethane (12 mL) solution of di-tert-butyl dicarbonate (4.360 g, 20.0 mmol) was slowly added dropwise over a period of minutes at room temperature. The progress of the reaction was monitored by thin layer chromatography (TLC) with ethyl acetate: hexane (1:1) as the unfolding agent, and the completion of the reaction was confirmed after about 30 minutes. Subsequently, the volatile solvent was removed by rotary evaporation, and the resulting solid was purified by fast column chromatography with the eluent ethyl acetate-hexane (initial ratio 1.5:8.5, gradually adjusted to 3:7), resulting in tert-butyl N-[2-(aminomethyl)phenyl]carbamate 3.912 g in 88% yield as an off-white powder, with spectral and analytical data as expected.

[References]

[1] Patent: US6927294, 2005, B1. Location in patent: Page/Page column 18
Spectrum DetailBack Directory
[Spectrum Detail]

tert-Butyl 2-(aminomethyl)phenylcarbamate(849020-94-6)1HNMR
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