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301673-16-5

301673-16-5 Structure

301673-16-5 Structure
IdentificationMore
[Name]

3-HYDROXYMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
[CAS]

301673-16-5
[Synonyms]

2-(HYDROXYMETHYL)-4-N-TERT-BUTOXYCARBONYL-PIPERAZINE
3-(HYDROXYMETHYL)-1-PIPERAZINE CARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER
3-HYDROXYMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-N-BOC-2-HYDROXYMETHYLPIPERAZINE
1-Boc-3-hydroxymethyl-piperazine
N-BOC-3-HYDROXYMETHYLPIPERAZINE
1-N-BOC-3-HYDROXYMETHYLPIPERAZINE
tert-Butyl 3-(hydroxymethyl)piperazine-1-carboxylate
[Molecular Formula]

C10H20N2O3
[MDL Number]

MFCD04115304
[Molecular Weight]

216.28
[MOL File]

301673-16-5.mol
Chemical PropertiesBack Directory
[Melting point ]

93.0 to 97.0 °C
[Boiling point ]

322.9±22.0 °C(Predicted)
[density ]

1.085±0.06 g/cm3(Predicted)
[storage temp. ]

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

powder to crystal
[pka]

14.97±0.10(Predicted)
[color ]

White to Almost white
[CAS DataBase Reference]

301673-16-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[HS Code ]

2939800000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Tetrahydrofuran-->Dichloromethane-->Potassium carbonate-->Potassium hydroxide-->Lithium Aluminum Hydride-->Palladium-->1,4-Dioxane-->Sodium borohydride-->Iodomethane-->Di-tert-butyl dicarbonate-->Calcium chloride-->1,2-Dichloroethane-->N,N-Diisopropylethylamine-->Lithium hydroxide-->Piperazine-2-carboxylic acid-->2-Pyrazinecarboxylic acid-->Methanesulfonic anhydride-->N,N-Dimethylacrylamide
Hazard InformationBack Directory
[Uses]

1-Boc-3-Hydroxymethylpiperazine is an organic compound commonly used as an organic synthesis intermediate and pharmaceutical intermediate.
[Synthesis]

2-(Hydroxymethyl)-1,4-piperazinedicarboxylic acid 1,4-bis(tert-butyl) ester

143540-05-0

1-Boc-3-hydroxymethyl-piperazine

301673-16-5

General procedure for the synthesis of 1-BOC-3-hydroxymethylpiperazine from 1,4-bis(Boc)-2-piperazinemethanol: To a solution of di-tert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate (4.00 g, 12.6 mmol) in ethanol (110 ml) was added sodium hydroxide (1.99 g, 49.8 mmol), and the mixture was heated under reflux conditions for 16 hours. After completion of the reaction, the solvent was removed by evaporation under reduced pressure. The residue was poured into water and the mixture was extracted with ethyl acetate and the organic phase was dried with anhydrous magnesium sulfate. The solvent was evaporated under reduced pressure to afford the target product 1-BOC-3-hydroxymethylpiperazine (2.71 g, 99.6% yield) as a solid. The structure of the product was confirmed by 1H-NMR (CDCl3): δ 1.46 (9H, s), 2.12 (1H, br s), 2.64-3.01 (6H, br s), 3.47-3.53 (1H, m), 3.62-3.67 (1H, m), 3.89 (2H, br s).

[References]

[1] Patent: US2009/318412, 2009, A1. Location in patent: Page/Page column 34-35
[2] Patent: EP1338595, 2003, A2
Spectrum DetailBack Directory
[Spectrum Detail]

3-HYDROXYMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(301673-16-5)1HNMR
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