| Identification | More | [Name]
4-(N-BOC-AMINOMETHYL)ANILINE | [CAS]
94838-55-8 | [Synonyms]
4-[(N-Boc)aminomethyL
4-(BOC-AMINOMETHYL)-ANILINE
4-(N-BOC-AMINOMETHYL)ANILINE
4-[(N-tert-Butyloxycarbonyl)aMi
4-[(N-Boc)aMinoMethyl]aniline 97%
TERT-BUTYL (4-AMINOBENZYL)CARBAMATE
TERT-BUTYL N-(4-AMINOBENZYL)CARBAMATE
4-(Boc-aminomethyl)aniline≥ 98% (HPLC)
N-(TERT. BUTYLDIMETHYLSILYLOXY)PHTHALIMIDE
tert-butyl N-[(4-aminophenyl)methyl]carbamate
4-[(N-tert-ButoxycarbonylaMino)Methyl]aniline
4-(Boc-aminomethyl)aniline ISO 9001：2015 REACH
(4-AMINO-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER
[(4-AMinophenyl)Methyl]carbaMic Acid 1,1-DiMethylethyl Ester
CarbaMic acid, [(4-aMinophenyl)Methyl]-, 1,1-diMethylethyl ester
Carbamic acid, N-[(4-aminophenyl)methyl]-, 1,1-dimethylethyl ester | [EINECS(EC#)]
229-591-5 | [Molecular Formula]
C12H18N2O2 | [MDL Number]
MFCD03001716 | [Molecular Weight]
222.28 | [MOL File]
94838-55-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
75-78 °C(lit.) | [Boiling point ]
382.3±25.0 °C(Predicted) | [density ]
1.095±0.06 g/cm3(Predicted) | [storage temp. ]
Store at 0-5°C | [form ]
Crystalline Powder | [pka]
12.62±0.46(Predicted) | [color ]
White to tan | [InChI]
InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9/h4-7H,8,13H2,1-3H3,(H,14,15) | [InChIKey]
UXWQXBSQQHAGMG-UHFFFAOYSA-N | [SMILES]
C(OC(C)(C)C)(=O)NCC1=CC=C(N)C=C1 | [CAS DataBase Reference]
94838-55-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3 | [HazardClass ]
IRRITANT | [HS Code ]
29242990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Uses]
4-[(N-Boc)aminomethyl]aniline may be used in the synthesis of haptens and 4-(N-boc-aminomethyl)benzene diazonium tetrafluoroborate salt. | [Uses]
An aniline derivative, 4-(Boc-aminomethyl)aniline can be used in the preparation of various organic synthase inhibitors and other bio-active compounds.
| [General Description]
4-[(N-Boc)aminomethyl]aniline is a protected amine. | [Synthesis]
General procedure for the synthesis of 4-(N-BOC-aminomethyl)aniline from N-Boc-4-nitrophenylethylamine: 10% Pd/C catalyst (62 mg) was added to a solution of N-Boc-4-nitrophenylethylamine (590 mg, 2.33 mmol) in methanol (20.6 mL). The reaction mixture was subjected to hydrogenation under 35 psi hydrogen pressure for 2 hours at room temperature. Upon completion of the reaction, the catalyst was removed by filtration and the filtrate was evaporated. The residue was purified by silica gel column chromatography using ethyl acetate with hexane (1:1) as eluent to afford 4-(N-BOC-aminomethyl)aniline (520 mg, 100% yield) as an oil.1H NMR (DMSO-d6): δ 1.37 (s, 9H), 3.91 (d, J=6.0 Hz, 2H), 4.90 (s, 2H disappeared after D2O exchange), 6.47 (d, J=8.1Hz, 2H), 6.87 (d, J=8.0Hz, 2H), 7.13ppm (s, 1H, disappeared after D2O exchange).IR: ν1695, 2974 cm-1. | [References]
[1] European Journal of Medicinal Chemistry, 2014, vol. 80, p. 101 - 111
[2] Journal of Medicinal Chemistry, 2003, vol. 46, # 5, p. 691 - 701
[3] Patent: US2009/54395, 2009, A1. Location in patent: Page/Page column 48
[4] Chemical Communications, 2014, vol. 50, # 97, p. 15305 - 15308
[5] Bioorganic and Medicinal Chemistry Letters, 2000, vol. 10, # 6, p. 553 - 557 |
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Energy Chemical
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