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170491-63-1

170491-63-1 Structure

170491-63-1 Structure
IdentificationBack Directory
[Name]

2-HYDROXYMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
[CAS]

170491-63-1
[Synonyms]

AKOS 92835
Boc-DL-Pro-OL
N-Boc-Prolinol
Boc-DL-Prolinol
1-Boc-2-pyrrolidineMethanol
N-Boc-2-pyrrolidineMethanol
(±)-1-Boc-pyrrolidine-2-Methanol
1-N-Boc-pyrrolidin-2-yl-methanol
1-Boc-(2-HydroxyMethyl)pyrrolidine
1-N-BOC-2-HYDROXYMETHYLPYRROLIDINE
N-(tert-Butoxycarbonyl)-DL-prolinol
(^+)-1-Boc-pyrrolidine-2-methanol,98%
N-(tert-Butoxycarbonyl)pyrrolidine-2-methanol
1-Boc-(2-HydroxyMethyl)pyrrolidine/Boc-DL-Pro-ol
(^+)-1-Boc-pyrrolidine-2-methanol, 98% white powder
tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate
2-HYDROXYMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1-Pyrrolidinecarboxylicacid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester
(S)-2-(hydroxyMethyl)-1-pyrrolidinecarboxylic acid,1,1-diMethylethyl ester
[Molecular Formula]

C10H19NO3
[MDL Number]

MFCD01456556
[MOL File]

170491-63-1.mol
[Molecular Weight]

201.26
Chemical PropertiesBack Directory
[Melting point ]

52-54℃
[Boiling point ]

290℃
[density ]

1.084
[Fp ]

129℃
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

14.77±0.10(Predicted)
[color ]

White to Almost white
[InChIKey]

BFFLLBPMZCIGRM-UHFFFAOYSA-N
[CAS DataBase Reference]

170491-63-1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Risk Statements ]

36/37/38
[Safety Statements ]

26-37
[HS Code ]

29339900
Hazard InformationBack Directory
[Uses]

N-(tert-Butoxycarbonyl)pyrrolidine-2-methanol is used to prepare 1,3-thiazolidin-2-imines derivatives as inhibitors of nitric oxide synthase.
[Synthesis]

Di-tert-butyl dicarbonate

24424-99-5

2-(Hydroxymethyl)pyrrolidine

498-63-5

2-HYDROXYMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

170491-63-1

Step 1. Synthesis of tert-butyl 2-hydroxymethylpyrrolidine-1-carboxylate Pyrrolidine-2-methanol (0.300 g, 1.98 mmol) was dissolved in dichloromethane (5.0 mL) and di-tert-butyl dicarbonate (0.650 g, 1.98 mmol) was added. The reaction mixture was stirred at room temperature for 16 hours. Upon completion of the reaction, the residue was purified by post-processing using Isco Combi-Flash Companion column chromatography (eluent: dichloromethane solution in 0-10% methanol) to afford tert-butyl 2-hydroxymethylpyrrolidine-1-carboxylate (0.590 g, 98% yield). 1H NMR (CDCl3, 300 MHz) δ 4.78 (br d, 1H), 4.05-3.90 (br, 1H), 3.67-3.53 (m, 2H), 3.49-3.41 (m, 1H), 3.34-3.26 (m, 1H), 2.00 (dddd, 1H), 1.85-1.72 (m, 2H). 1.60-1.50 (m, 1H), 1.46 (s, 9H).

[References]

[1] Patent: US2017/253569, 2017, A1. Location in patent: Paragraph 0994-0995
[2] Tetrahedron, 2005, vol. 61, # 10, p. 2631 - 2643
[3] Patent: US2016/168090, 2016, A1. Location in patent: Paragraph 0823-0824
[4] Patent: WO2011/22508, 2011, A2. Location in patent: Page/Page column 59; 60
[5] Patent: EP2202223, 2010, A1. Location in patent: Page/Page column 72-73
Spectrum DetailBack Directory
[Spectrum Detail]

2-HYDROXYMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(170491-63-1)1HNMR
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