ChemicalBook--->CAS DataBase List--->122536-77-0

122536-77-0

122536-77-0 Structure

122536-77-0 Structure
IdentificationMore
[Name]

(R)-3-(Boc-amino)pyrrolidine
[CAS]

122536-77-0
[Synonyms]

(3R)-(+)-3-(BOC-AMINO)PYRROLIDINE
(3R)-(+)-3-(T-BUTOXYCARBONYLAMINO)PYRROLIDINE
(3R)-(-)-3-(TERT-BUTOXYCARBONYLAMINO)PYRROLIDINE
(3R)-(+)-3-(TERT-BUTOXYCARBONYLAMINO)PYRROLIDINE
(3R)-()-(TERT-BUTOXYCARBONYLAMINO)PYRROLIDINE
(3R)-(+)-(TERT-BUTOXYCARBONYLAMINO)PYRROLIDINE
BOC-(3R)-(+)-3-AMINOPYRROLIDINE
BOC-(3R)-(+)-(3)APYROLIDI
CARBAMIC ACID, (3R)-3-PYRROLIDINYL-, 1,1-DIMETHYLETHYL ESTER
N-(3R)-(+)-3-T-BUTOXYCARBONYL-AMINOPYRROLIDINE
PYRROLIDIN-3-YL-CARBAMIC ACID TERT-BUTYL ESTER, (R)
(R)-(+)-3-(BOC-AMINO)PYRROLIDINE
(R)-3-(BOC-AMINO)PYRROLIDINE
(R)-3-N-BOC-AMINO PYRROLIDINE
(R)-3-(TBOC-AMINO)PYRROLIDINE
(R)-3-TERT-BUTOXYCARBONYLAMINOPYRROLIDINE
(R)-PYRROLIDIN-3-YL-CARBAMIC ACID TERT-BUTYL ESTER
(R)-TERT-BUTYL-PYRROLIDINE-3-YLCARBAMATE
TERT-BUTYL (R)-3-PYRROLIDINYLCARBAMATE
TERT-BUTYL (R)-PYRROLIDIN-3-YL CARBAMATE
[EINECS(EC#)]

602-787-1
[Molecular Formula]

C9H18N2O2
[MDL Number]

MFCD00143191
[Molecular Weight]

186.25
[MOL File]

122536-77-0.mol
Questions And AnswerBack Directory
[Synthesis]

To a solution of Boc anhydride (2.72 g, 12.48 mmol) in 20 mL of THF, triethylamine (1.898 mL, 13.62 mmol) and benzyl-protected (R)-3-aminopyrrolidine (1.96 mL, 11.35 mmol) were added. The reaction mixture was stirred under argon at room temperature for 2 hours. Tetrahydrofuran was removed under vacuum. The resulting oil was dissolved in 20 mL of EtOAc and washed with 15 mL of 1M NaOH. The organic layer was washed with 3 x 15 mL of H2O. The organic layer was collected, dried over MgSO4, and concentrated under vacuum. The crude product was purified by flash chromatography (33:66 to 50:50 EtOAc/hexanes) to give 3.047 g of intermediate product (97%).
To a solution of the product from the first step in 20 mL of ethanol, 10% Pd/C (0.310 g) was added. The reaction mixture was stirred overnight at room temperature under a H2 atmosphere. The mixture was filtered through EtOAc and concentrated under vacuum to give 2.013 g of product (98%).

Chemical PropertiesBack Directory
[Melting point ]

50 °C
[Boiling point ]

286.4±29.0 °C(Predicted)
[density ]

1.04±0.1 g/cm3(Predicted)
[refractive index ]

20 ° (C=1, EtOH)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

12.37±0.20(Predicted)
[color ]

White to Light yellow to Light orange
[Optical Rotation]

[α]/D +21.5±1.5°, c = 1 in ethanol
[Water Solubility ]

Soluble in water.
[Sensitive ]

Air Sensitive
[Detection Methods]

GC,T
[BRN ]

5377812
[InChI]

InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-5-10-6-7/h7,10H,4-6H2,1-3H3,(H,11,12)/t7-/m1/s1
[InChIKey]

DQQJBEAXSOOCPG-SSDOTTSWSA-N
[SMILES]

C(OC(C)(C)C)(=O)N[C@@H]1CCNC1
[CAS DataBase Reference]

122536-77-0(CAS DataBase Reference)
[Storage Precautions]

Air sensitive
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,C
[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 .
[RIDADR ]

UN3259
[WGK Germany ]

3
[F ]

10-23
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29339900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium hydroxide-->Methanol-->Tetrahydrofuran-->Dichloromethane-->Acetic acid-->Thionyl chloride-->Triethylamine-->Palladium-->1,4-Dioxane-->Sodium borohydride-->Di-tert-butyl dicarbonate-->Calcium chloride-->Methanesulfonyl chloride-->Benzylamine-->Allylamine-->D-Aspartic acid-->Carbamic acid, N-[(1R)-3-[(methylsulfonyl)oxy]-1-[[(methylsulfonyl)oxy]methyl]pr
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

(3R)-(+)-(tert-Butoxycarbonylamino)pyrrolidine(122536-77-0).msds
Hazard InformationBack Directory
[Chemical Properties]

White to off-white powder
[Uses]

(R)-(+)-3-(Boc-amino)pyrrolidine is used as an intermediate in organic synthesis, as pharmaceutical intermediate.
Spectrum DetailBack Directory
[Spectrum Detail]

(R)-3-(Boc-amino)pyrrolidine(122536-77-0)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

(R)-(+)-3-(Boc-amino)pyrrolidine, 99%, ee 99%(122536-77-0)
[Sigma Aldrich]

122536-77-0(sigmaaldrich)
[TCI AMERICA]

(3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine,>98.0%(GC)(T)(122536-77-0)
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