- Evocalcet Impurity 10
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- $0.00 / 10mg
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2025-12-16
- CAS:101469-92-5
- Min. Order: 10mg
- Purity: 95%+
- Supply Ability: 10000
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| | N-(tert-Butoxycarbonyl)-(S)-(+)-3-pyrrolidinol Basic information |
| | N-(tert-Butoxycarbonyl)-(S)-(+)-3-pyrrolidinol Chemical Properties |
| Melting point | 60-64 °C (lit.) | | alpha | 26 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. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | soluble in Methanol | | pka | 14.74±0.20(Predicted) | | form | Crystalline Powder | | color | White to pale yellow | | Optical Rotation | [α]20/D +26°, c = 1% in methanol | | BRN | 6271108 | | 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-/m0/s1 | | InChIKey | APCBTRDHCDOPNY-ZETCQYMHSA-N | | SMILES | N1(C(OC(C)(C)C)=O)CC[C@H](O)C1 | | CAS DataBase Reference | 101469-92-5(CAS DataBase Reference) |
| Hazard Codes | T,Xi | | Risk Statements | 25-37/38-41-R41-R37/38-R25 | | Safety Statements | 26-39-45-S45-S39-S26 | | RIDADR | UN 2811 6.1/PG 3 | | WGK Germany | 3 | | F | 10 | | HazardClass | 6.1 | | PackingGroup | Ⅲ | | HS Code | 29339900 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3 |
| | N-(tert-Butoxycarbonyl)-(S)-(+)-3-pyrrolidinol Usage And Synthesis |
| Chemical Properties | white to light yellow crystal powde | | Uses | (S)-(+)-N-Boc-3-pyrrolidinol can be used as a reactant to synthesize:
- tert-Butyl 3-(2-bromophenoxy)pyrrolidine-1-carboxylate, which is employed as a key intermediate in the preparation of IkB-kinase IKK2 inhibitor.
- Dimethoxy-pyrrolidylquinazoline , and peptidomimetic quinoline derivatives.
| | Synthesis | The general procedure for the synthesis of 1-tert-butoxycarbonyl-3-hydroxy-pyrrolidine from di-tert-butyl dicarbonate and 3-hydroxy-pyrrolidine was as follows: first, (R)-3-pyrrolidinol (539 mg, 6.19 mmol) was converted into compound 16b to afford a colorless oily substance (1.3 g, 100% yield). The spectral data of this 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 converted by reaction to compound 16c, again as a colorless oil. Next, compound 16e was prepared from compound 16c by a two-step reaction, still as a colorless oily substance. Finally, compound 16e was further reacted to obtain the target product compound 16, which was rendered as 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 |
| | N-(tert-Butoxycarbonyl)-(S)-(+)-3-pyrrolidinol Preparation Products And Raw materials |
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