3-(AMINOMETHYL)-1-N-BOC-ANILINE
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3-(AMINOMETHYL)-1-N-BOC-ANILINE
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CAS No:
205318-52-1
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Formula:
C12H18N2O2
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Chemical Name:
3-(AMINOMETHYL)-1-N-BOC-ANILINE
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Synonyms:
TERT-BUTYL 3-(AMINOMETHYL)PHENYLCARBAMATE;3-(TERT-BUTOXYCARBONYLAMINO)BENZYLAMINE;(3-AMINOMETHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER;3-(AMINOMETHYL)-1-N-BOC-ANILINE;tert-butyl N-[3-(aMinoMethyl)phenyl]carbaMate;CarbaMic acid, N-[3-(aMinoMethyl)phenyl]-, 1,1-diMethylethyl ester;3-(Boc-aMino)benzylaMine;3-Aminobenzylamine, 3-BOC protected, 3-[(tert-Butoxycarbonyl)amino]benzylamine, tert-Butyl [3-(aminomethyl)phenyl]carbamate
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CAS No:
Characteristics
64.4
3.26560
1.12g/cm3
135-138°C
299.5°C at 760 mmHg
134.9ºC
1.564
0.00119mmHg at 25°C
Safety Information
36/37/38-43
26-36/37/39-36/37
Xi
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-(AMINOMETHYL)-1-N-BOC-ANILINE Use and Manufacturing
In a dry vial In a dry vial To a solution of 3-(aminomethyl)-1-N-Boc-aniline (1 g, 4.50 mmol) in TEA (911 mg, 9 mmol) and DCM (10 mL) was added acetyl chloride (424.00 mg, 5.40 mmol) and the reaction mixture was stirred at ambient temperature for 1 h. The reaction mixture was partitioned between dichloromethane and brine. The organic layer was dried with sodium sulfate, filtered and concentrated in vacuo to give 1.19 g of intermediate 63(orange oil).Example 24. (S)-N-(3-(((3-ethyl-5-(2-(2-hydroxyethyl)piperidin-l-yl)pyrazolo[l, 5- a]pyrimidin-7-yl)amino)m teH-butyl-3-((5-chloro-3-ethylpyrazolo[l, 5-a]pyrimidin-7-ylamino)methyl)phenylcarbamate (MFH-1-39-1) The mixture of SM-1-49-1 (400 mg, 1.85 mmol), SM-1-49-2 (452.6 mg, 2.0364 mmol), DIPEA (718 mg) and i-PrOH (5 mL) was stirred at 85 C for 6 h. Then the reaction mixture was concentrated under reduced pressure and the residue was purified by silica gel chromatography (PE/EA = 0-50%) to obtain MFH-1-39-1 (white solid, 0.66 g, yield 88.7%). LCMS (m/z): 402 [M + H]+.
Computed Properties
Molecular Weight:222.28
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:222.136827821
Monoisotopic Mass:222.136827821
Topological Polar Surface Area:64.4
Heavy Atom Count:16
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes