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| | 1-Boc-3-hydroxymethylpyrrolidine Basic information |
| Product Name: | 1-Boc-3-hydroxymethylpyrrolidine | | Synonyms: | 1-tert-Butoxycarbonylpyrrolidine-3-methanol;1-BOC-3-Hydroxymethyl-1H-pyrrolidine;tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate(SALTDATA: FREE);1-Boc-3-(hydroxyMethyl)py...;1-BOC-3-Pyrrolidinemethanol 97%;N-tert-Butoxycarbonyl-3-(hydroxyMethyl)pyrrolidine;tert-butyl 3-(hydroxyMethyl)-1-pyrrolidinecarboxylate;N-Boc-DL-^b-prolinol, 97+% | | CAS: | 114214-69-6 | | MF: | C10H19NO3 | | MW: | 201.26 | | EINECS: | | | Product Categories: | Pyrrole&Pyrrolidine&Pyrroline;pharmacetical | | Mol File: | 114214-69-6.mol |  |
| | 1-Boc-3-hydroxymethylpyrrolidine Chemical Properties |
| Boiling point | 285-291℃ | | density | 1.089 | | refractive index | 1.4680 to 1.4720 | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | clear liquid | | pka | 14.93±0.10(Predicted) | | color | Colorless to Light orange to Yellow | | InChI | InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-5-4-8(6-11)7-12/h8,12H,4-7H2,1-3H3 | | InChIKey | HKIGXXRMJFUUKV-UHFFFAOYSA-N | | SMILES | N1(C(OC(C)(C)C)=O)CCC(CO)C1 | | CAS DataBase Reference | 114214-69-6(CAS DataBase Reference) |
| Hazard Codes | Xi,N,T | | Risk Statements | 25-50 | | Safety Statements | 24/25-61-45 | | RIDADR | 2811 | | WGK Germany | 3 | | HazardClass | IRRITANT | | PackingGroup | Ⅲ | | HS Code | 2933998090 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Aquatic Acute 1
Aquatic Chronic 1 |
| | 1-Boc-3-hydroxymethylpyrrolidine Usage And Synthesis |
| Uses | 1-Boc-3-hydroxymethylpyrrolidine is an intermediate of SR 9009 (S684255). SR 9009 is a synthetic REV-ERB agonist that regulates circadian behavior and metabolism; has potential use in the treatment of sleep disorders and metabolic diseases. | | Synthesis | General procedure for the synthesis of 1-Boc-3-hydroxymethylpyrrolidine from 3-pyrrolidine methanol and di-tert-butyl dicarbonate: 900 g of 3-pyrrolidine methanol was dissolved in 4.5 L of dichloromethane, and 900 g of di-tert-butyl dicarbonate and 1.8 kg of triethylamine were added in slow batch. The reaction mixture was stirred at room temperature for about 5 hours. Upon completion of the reaction, the reaction was quenched by the addition of water. The product 1-Boc-3-hydroxymethylpyrrolidine was isolated and purified by conventional post-treatment methods in 95% yield. | | References | [1] Patent: CN106588738, 2017, A. Location in patent: Paragraph 0035; 0037; 0040; 0045
[2] Synlett, 2017, vol. 28, # 4, p. 425 - 428
[3] Bioorganic and medicinal chemistry letters, 2002, vol. 12, # 13, p. 1785 - 1789
[4] Bioorganic and Medicinal Chemistry Letters, 2002, vol. 12, # 21, p. 3235 - 3238
[5] Bioorganic and Medicinal Chemistry, 2004, vol. 12, # 5, p. 1151 - 1175 |
| | 1-Boc-3-hydroxymethylpyrrolidine Preparation Products And Raw materials |
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