CAS Number86770-31-2
Synonyms3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid-2 -butyl-4-ethyl ester; 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-(1,1-dimethylethyl) 4-ethyl ester; 2-(tert-Butyl) 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate; 4-Ethyl 2-(2-methyl-2-propanyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate; MFCD02179394; 2-tert-butyl 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate; 2-O-tert-butyl 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Molecular FormulaC14H21O4N1
Molecular Weight267.33
Purity98.00%
Density1.1±0.1 g/cm3
Boiling Point386.8±37.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 86770-31-2 |
| Catalog No. | 2A-9049401 |
| Chinese Name | 3,5-二甲基-1-氢-吡咯-2-羧酸叔丁酯-4-羧酸乙酯 |
| Synonyms | 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid-2 -butyl-4-ethyl ester; 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-(1,1-dimethylethyl) 4-ethyl ester; 2-(tert-Butyl) 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate; 4-Ethyl 2-(2-methyl-2-propanyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate; MFCD02179394; 2-tert-butyl 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate; 2-O-tert-butyl 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate |
| Molecular Formula | C14H21O4N1 |
| Molecular Weight | 267.33 |
| Purity | 98.00 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 386.8±37.0 °C at 760 mmHg |
| Storage Condition | room temperature |
| HTC | 2933990090 |
| PubChem ID | 6394797 |
| MDL Number | MFCD02179394 |
| SMILES | CCOC(=O)c1c(C)[nH]c(C(=O)OC(C)(C)C)c1C |
| InChI | InChI=1S/C14H21NO4/c1-7-18-12(16)10-8(2)11(15-9(10)3)13(17)19-14(4,5)6/h15H,7H2,1-6H3 |
| InChI Key | CJXJFSNESZDOGK-UHFFFAOYSA-N |
| MSDS | msds/49401_1_86770_31_2.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:C14H21NO4 Molecular weight:267.3 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. 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 Hazard Codes Xi: Irritant; HS Code 2933990090 Synthetic Route tert-Butyl acet... CAS#:1694-31-1 Ethyl acetoacetate CAS#:141-97-9 2-tert-Butyl 4-... CAS#:86770-31-2 2-Methyl-2-prop... CAS#:14352-65-9 Ethyl acetoacetate CAS#:141-97-9 2-tert-Butyl 4-... CAS#:86770-31-2 Ethyl acetoacetate CAS#:141-97-9 2-tert-Butyl 4-... CAS#:86770-31-2 Precursor & DownStream Precursor 5 CAS#:1694-31-1 tert-Butyl acet... CAS#:141-97-9 Ethyl acetoacetate CAS#:14352-65-9 2-Methyl-2-prop... CAS#:79232-64-7 (Z)-2-hydroxyim... DownStream 10 CAS#:341031-54-7 Sunitinib malate CAS#:356068-93-4 5-((Z)-(5-Fluor... CAS#:356068-94-5 CAS#:5442-91-1 4-(Ethoxycarbon... |
| 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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