172477-98-4|tert-Butyl (1-benzylpyrrolidin-3-yl)(methyl)carbamate| Ambeed

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CAS No. :	172477-98-4
Formula :	C₁₇H₂₆N₂O₂
M.W :	290.40
SMILES Code :	O=C(OC(C)(C)C)N(C1CN(CC2=CC=CC=C2)CC1)C
MDL No. :	MFCD11053556

Yield	Reaction Conditions	Operation in experiment
	In methanol; at 20.0℃;	3-(Methylamino)-1-acetylpyrrolidine was prepared from 3-(methylamino)-1-benzylpyrrolidine (TCI America) after four steps: i) (Boc)2O, MeOH, rt; ii) H2 (1 atm), 10% Pd/C, EtOH; iii) AcCl, i-Pr2NEt, CH2Cl2; iv) CF3CO2H, CH2Cl2. (m/z): [M+H]+calcd for C7H14N2O: 143.12; found, 143.0.
	In methanol; at 20.0℃;	3-(Methylamino)-1-acetylpyrrolidine was prepared from 3-(methylamino)-1-benzylpyrrolidine (TCI America) after four steps: i) (Boc)2O, MeOH, rt; ii) H2 (1 atm), 10% Pd/C, EtOH; iii) AcCl, i-Pr2NEt, CH2C1-2; iv) CF3CO2H, CH2Cl2. (m/z): [M+H]+ calcd for C7H14N2O: 143.12; found, 143.0.
	In methanol; at 20.0℃;	3-(Methylamino)-1-acetylpyrrolidine was prepared from 3-(methylamino)-1-benzylpyrrolidine (TCI America) after four steps: i) (Boc)2O, MeOH, rt; ii) H2 (1 atm), 10% Pd/C, EtOH; iii) AcCl, i-Pr2NEt, CH2Cl2; iv) CF3CO2H, CH2Cl2. (m/z): [M+H]+ calcd for C7H14N2O: 143.12; found, 143.0.

	In methanol; at 20.0℃;	3-(Methylamino)-1-acetylpyrrolidine was prepared from 3-(methylamino)-1-benzylpyrrolidine (TCI America) after four steps: i) (Boc)2O, MeOH, rt; ii) H2 (1 atm), 10% Pd/C, EtOH; iii) AcCl, i-Pr2NEt, CH2Cl2; iv) CF3CO2H, CH2Cl2. (m/z): [M+H]+ calcd for C7H14N2O: 143.12; found, 143.0.; 3-(Methylamino)-1-(methanesulfonyl)pyrrolidine was prepared from 3-(methylamino)-1-benzylpyrrolidine after four steps: i) (Boc)2O, MeOH, rt; ii) H2 (1 atm), 10% Pd/C, EtOH; iii) CH3SO2Cl, i-Pr2NEt, CH2Cl2; iv) CF3CO2H, CH2Cl2. (m/z): [M+H]+ calcd for C6H14N2O2S: 179.08; found, 179.2. 3R-Methylamino-1-(methanesulfonyl)pyrrolidine was prepared in a similar manner from (3R)-(methylamino)-1-benzylpyrrolidine.
	In methanol; at 20.0℃;	3-(Methylamino)-1-(methanesulfonyl)pyrrolidine was prepared from 3-(methylamino)-1-benzylpyrrolidine after four steps: i) (Boc)2O, MeOH, rt; ii) H2 (1 atm), 10% Pd/C, EtOH; iii) CH3SO2Cl, i-Pr2NEt, CH2Cl2; iv) CF3CO2H, CH2Cl2. (m/z): [M+H]+ calcd for C6H14N2O2S: 179.08; found, 179.2.
	In methanol; for 48.0h;	A mixture of EXAMPLE 1H (3.54 g) and methanol-washed Raney Nickel (16 g) in 20% ammonia in methanol (w/w) (60 mL) at 25 C. in a Paar apparatus was stirred under 60 pounds per square inch of hydrogen gas for 1 hour, filtered through diatomaceous earth (Celite), and concentrated. The concentrate was dissolved in methanol (30 mL), treated with di-tert-butyl dicarbonate (4.9 g), stirred for 48 hours, poured into distilled water, and extracted with ethyl acetate. The extract was washed with 1% hydrochloric acid, water, and brine, dried over anhydrous sodium sulfate, and concentrated. 1H NMR (300 MHz, CDCl3) δ 7.32 (s, 5H), 5.07 (m, 1H), 3.54 (s, 2H), 3.10 (b, 2H), 2.7 (m, 1H), 2.70 (m, 1H), 2.54 (m, 1H), 2.40 (m, 2H), 2.00(b, 1H), 1.80 (b, 1H).

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CAS No.: 172477-98-4

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CAS No.: 172477-98-4

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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed