ChemicalBook--->CAS DataBase List--->141699-57-2

141699-57-2

141699-57-2 Structure

141699-57-2 Structure
IdentificationBack Directory
[Name]

1-BOC-3-METHANESULFONYLOXYPYRROLIDINE
[CAS]

141699-57-2
[Synonyms]

138883
1-BOC-3-METHANESULFONYLOXYPYRROLIDINE
(R)-3-(Methylsulphonyloxy)pyrrolidine
(R)-3-(Methylsulfonyloxy)pyrrolidine, N-BOC protected
(R)-3-(Methylsulphonyloxy)pyrrolidine, N-BOC protected
1-(tert-Butoxycarbonyl)pyrrolidin-3-yl methanesulfonate
2-(3-pyrrolidinyloxysulfonyl)acetic acid tert-butyl ester
(R)-3-(Methylsulphonyloxy)pyrrolidine, N-BOC protected 95+%
3-METHANESULFONYLOXY-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1-Pyrrolidinecarboxylic acid, 3-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester
[Molecular Formula]

C10H19NO5S
[MDL Number]

MFCD04116219
[MOL File]

141699-57-2.mol
[Molecular Weight]

265.33
Chemical PropertiesBack Directory
[Boiling point ]

392.9±31.0 °C(Predicted)
[density ]

1.25±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

-3.65±0.40(Predicted)
[InChI]

1S/C10H19NO5S/c1-10(2,3)15-9(12)11-6-5-8(7-11)16-17(4,13)14/h8H,5-7H2,1-4H3/t8-/m1/s1
[InChIKey]

KWQRKOSMSFLBTJ-MRVPVSSYSA-N
[SMILES]

CC(C)(C)OC(=O)N1CC[C@H](C1)OS(C)(=O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301
[Precautionary statements ]

P264-P270-P301+P310-P405-P501
[Hazard Codes ]

Xi,T
[Risk Statements ]

25
[Safety Statements ]

45
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2933998090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Hazard InformationBack Directory
[Synthesis]

1-Boc-(R)-(-)-3-Hydroxypyrrolidine

83220-73-9

Methanesulfonyl chloride

124-63-0

1-BOC-3-METHANESULFONYLOXYPYRROLIDINE

141699-57-2

GENERAL STEPS: To a stirred solution of 1-tert-butoxycarbonyl-3-hydroxypyrrolidine (16 g, 85.4 mmol) and triethylamine (19 mL, 129 mmol) in 130 mL of dichloromethane was added slowly and dropwise to a solution of methanesulfonyl chloride (10 mL, 129 mmol) in 20 mL of dichloromethane at 0 °C. After the dropwise addition was completed, the reaction mixture was continued to be stirred at room temperature for 2.5 hours. Upon completion of the reaction, the reaction was quenched with saturated aqueous sodium bicarbonate and extracted with dichloromethane. The organic phases were combined, dried over anhydrous sodium sulfate and concentrated under reduced pressure to give tert-butyl 3-methanesulfonyloxypyrrolidine-1-carboxylate (22.7 g, 100% yield) as a yellow solid.

[References]

[1] Patent: WO2013/97773, 2013, A1. Location in patent: Paragraph 0150
[2] Patent: US2016/168156, 2016, A1. Location in patent: Paragraph 0494; 0495
[3] Patent: KR2016/103390, 2016, A. Location in patent: Paragraph 0099; 0102
[4] Patent: CN107474024, 2017, A. Location in patent: Paragraph 0385; 0389; 0390; 0391
[5] Patent: US2016/200730, 2016, A1. Location in patent: Paragraph 0278; 0279
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