CAS Number877399-73-0
Synonymstert-butyl 4-(4-iodopyrazol-1-yl)piperidine-1-carboxylate; 2-Methyl-2-propanyl 1-(4-iodo-1H-pyrazol-1-yl)-4-piperidinecarboxylate; 4-Piperidinecarboxylic acid, 1-(4-iodo-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester; 1-PIPERIDINECARBOXYLIC ACID 4-(4-IODO-1H-PYRAZOL-1YL)-,1-1-DIMETHYLETHYLESTER
Molecular FormulaC13H20O2N3I1
Molecular Weight377.23
Purity98.00%
Density1.6±0.1 g/cm3
Boiling Point417.5±55.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 877399-73-0 |
| Catalog No. | 2A-9058720 |
| Chinese Name | 1-Boc-4-(4-碘-1H-吡唑-1-基)哌啶 |
| Synonyms | tert-butyl 4-(4-iodopyrazol-1-yl)piperidine-1-carboxylate; 2-Methyl-2-propanyl 1-(4-iodo-1H-pyrazol-1-yl)-4-piperidinecarboxylate; 4-Piperidinecarboxylic acid, 1-(4-iodo-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester; 1-PIPERIDINECARBOXYLIC ACID 4-(4-IODO-1H-PYRAZOL-1YL)-,1-1-DIMETHYLETHYLESTER |
| Molecular Formula | C13H20O2N3I1 |
| Molecular Weight | 377.23 |
| Purity | 98.00 |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 417.5±55.0 °C at 760 mmHg |
| Storage Condition | 2-8°C, protected from light, dry and sealed |
| HTC | 2933990090 |
| MDL Number | MFCD12913927 |
| SMILES | CC(C)(C)OC(=O)N1CCC(n2cc(I)cn2)CC1 |
| InChI Key | IONGFFYQZADMPH-UHFFFAOYSA-N |
| MSDS | msds/58720_1_877399_73_0.pdf |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point: Flash point:No data Molecular formula:C13H20IN3O2 Molecular weight:377.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen Iodide. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Safety Information HS Code 2933990090 Synthetic Route Total: 1 Page 4-Iodopyrazole CAS#:3469-69-0 tert-Butyl 4-((... CAS#:141699-59-4 1-PIPERIDINECAR... CAS#:877399-73-0 Literature: Shanghai Institute Materia Medica, Chinese Academy Of Sciences; DUAN, Wenhu; GENG, Meiyu; CHEN, Fang; AI, Jing; CHEN, Yi; ZHAN, Zhengsheng; LV, Yongcong; WANG, Ying; DING, Jian Patent: EP2650293 A1, 2013 ; Location in patent: Paragraph 0195; 0196 ; 4-Iodopyrazole CAS#:3469-69-0 1-Piperidinecar... CAS#:189205-49-0 1-PIPERIDINECAR... CAS#:877399-73-0 N-BOC-4-Hydroxy... CAS#:109384-19-2 1-PIPERIDINECAR... CAS#:877399-73-0 Literature: Journal of Medicinal Chemistry, , vol. 54, # 12 p. 4092 - 4108 Precursor & DownStream Precursor 4 CAS#:3469-69-0 4-Iodopyrazole CAS#:141699-59-4 tert-Butyl 4-((... CAS#:189205-49-0 1-Piperidinecar... CAS#:109384-19-2 N-BOC-4-Hydroxy... DownStream 1 CAS#:877399-74-1 tert-Butyl 4-[4... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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