| Identification | More | [Name]
(R)-(-)-N-Boc-3-pyrrolidinol | [CAS]
109431-87-0 | [Synonyms]
1-PYRROLIDINECARBOXYLIC ACID, 3-HYDROXY-, 1,1-DIMETHYLETHYL ESTER, (3R)-
(3R)-(-)-N-BOC-3-HYDROXYPYRROLIDINE
BOC-(R)-3-HYDROXYPYRROLIDINE
N-T-BOC-(R)-3-HYDROXYPYRROLIDINE
N-TERT-BUTOXYCARBONYL-(R)-(-)-3-PYRROLIDINOL
(R)-1-BOC-3-HYDROXYPYRROLIDINE
(R)-1-BOC-3-PYRROLIDINOL
(R)-1-N-BOC-3-HYDROXYPYRROLIDINE
(R)-1-N-(T-BUTOXYCARBONYL)-3-HYDROXYPYRROLIDINE
(R)-1-N-(TERT-BUTOXYCARBONYL)-3-HYDROXYPYRROLIDINE
(R)-1-TERT-BUTOXYCARBONYL-3-PYRROLIDINOL
(R)-3-HYDROXY-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(R)-3-HYDROXYPYRROLIDINE HYDROCHLORIDE-N-BOC
(R)-3-HYDROXYPYRROLIDINE, N-TERT-BUTOXYCARBONYL
(R)-(-)-BOC-3-PYRROLIDINOL
(R)-N-BOC-3-HYDROXY-PYRROLIDINE
(R)-N-BOC-3-HYDROXYPYRROLIDINE HYDROCHLORIDE
(R)-N-BOC-3-PYRROLIDINOL
(R)-(+)-N-(TERT-BUTOXYCARBONYL)-3-HYDROXYPYRROLIDINE
(R)-N-(TERT-BUTOXYCARBONYL)-3-HYDROXYPYRROLIDINE | [Molecular Formula]
C9H17NO3 | [MDL Number]
MFCD01317838 | [Molecular Weight]
187.24 | [MOL File]
109431-87-0.mol |
| Chemical Properties | Back Directory | [Appearance]
White to off-white powder | [Melting point ]
62-65 °C(lit.)
| [alpha ]
-7 º (c=1, MeOH) | [Boiling point ]
273.3±33.0 °C(Predicted) | [density ]
1.142±0.06 g/cm3(Predicted) | [refractive index ]
-27 ° (C=1, MeOH) | [storage temp. ]
Store at 0-5°C | [solubility ]
soluble in Methanol | [form ]
Powder | [pka]
14.74±0.20(Predicted) | [color ]
White to off-white | [Optical Rotation]
[α]20/D 26±1, c = 1 in methanol | [InChI]
InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h7,11H,4-6H2,1-3H3/t7-/m1/s1 | [InChIKey]
APCBTRDHCDOPNY-SSDOTTSWSA-N | [SMILES]
N1(C(OC(C)(C)C)=O)CC[C@@H](O)C1 | [CAS DataBase Reference]
109431-87-0(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS07,GHS09 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335-H400 | [Precautionary statements ]
P273-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R53:May cause long-term adverse effects in the aquatic environment.
R50:Very Toxic to aquatic organisms. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [RIDADR ]
UN 3077 9 / PGIII | [WGK Germany ]
3
| [REACH Registrations]
Active | [HazardClass ]
IRRITANT | [HS Code ]
29339900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Aquatic Acute 1
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White to off-white powder | [Uses]
Used in synthesis of ligands for the nicotinic acetylcholine receptor. | [Synthesis]
1-tert-butoxycarbonyl-3-hydroxy-pyrrolidine (compound 16) was synthesized by a four-step reaction using di-tert-butyl dicarbonate and 3-hydroxy-pyrrolidine. First, (R)-3-pyrrolidinol (539 mg, 6.19 mmol) was converted to compound 16b to afford a colorless oily product (1.3 g, 100% yield). The spectral data of the product were consistent with the expected structure and in accordance with literature reports (see Kucznierz, R. et al., J. Med. Chem. 1998, 41, 4983-4994). Subsequently, compound 16b was further converted to compound 16c, again as a colorless oil. Next, compound 16c was converted by a two-step reaction to compound 16e, still a colorless oily substance. Finally, compound 16e was converted to the target product compound 16 to give a yellow oily substance. | [References]
[1] ACS Medicinal Chemistry Letters, 2013, vol. 4, # 10, p. 969 - 973
[2] Patent: WO2015/9731, 2015, A2. Location in patent: Paragraph 00106
[3] Journal of Medicinal Chemistry, 1998, vol. 41, # 25, p. 4983 - 4994
[4] Bioorganic and Medicinal Chemistry, 2006, vol. 14, # 17, p. 5812 - 5832
[5] Patent: WO2010/84767, 2010, A1. Location in patent: Page/Page column 86 |
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