![ethyl 5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate structure, CAS 1053656-57-7](/structures/80000/60569_1_1053656_57_7.png)
CAS Number1053656-57-7
Synonyms2-Methyl-2-propanyl 4-chloro-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate; tert-butyl 4-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate; Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid, 4-chloro-5,8-dihydro-, 1,1-dimethylethyl ester; tert-Butyl 4-chloro-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate; ethyl 5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
Molecular FormulaC12H16ClN3O2
Molecular Weight269.727
Purity98%
Density1.3±0.1 g/cm3
Boiling Point395.8±42.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1053656-57-7 |
| Catalog No. | 2A-9060569 |
| Chinese Name | 4-氯-5,6-二氢吡咯并[3,2-d]吡啶-7-甲酸叔丁酯 |
| Synonyms | 2-Methyl-2-propanyl 4-chloro-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate; tert-butyl 4-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate; Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid, 4-chloro-5,8-dihydro-, 1,1-dimethylethyl ester; tert-Butyl 4-chloro-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate; ethyl 5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate |
| Molecular Formula | C12H16ClN3O2 |
| Molecular Weight | 269.727 |
| Purity | 98 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 395.8±42.0 °C at 760 mmHg |
| Storage Condition | 2-8°C |
| HTC | 2933990090 |
| SMILES | CC(C)(C)OC(=O)N1CCc2c(Cl)ncnc2C1 |
| InChI Key | XYHXUYOSXZHUSZ-UHFFFAOYSA-N |
| MSDS | msds/60569_1_1053656_57_7.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 weight:269.7 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 chloride. 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 HS Code 2933990090 Synthetic Route tert-butyl 4-ox... CAS#:1142188-60-0 tert-Butyl 4-ch... CAS#:1053656-57-7 Literature: Toure, B. Barry; Miller-Moslin, Karen; Yusuff, Naeem; Perez, Lawrence; Dore, Michael; Joud, Carol; Michael, Walter; Dipietro, Lucian; Van Der Plas, Simon; McEwan, Michael; Lenoir, Francois; Hoe, Madelene; Karki, Rajesh; Springer, Clayton; Sullivan, John; Levine, Kymberly; Fiorilla, Catherine; Xie, Xiaoling; Kulathila, Raviraj; Herlihy, Kara; Porter, Dale; Visser, Michael ACS Medicinal Chemistry Letters, 2013 , vol. 4, # 2 p. 186 - 190 1-Benzyl-3-Oxo-... CAS#:39514-19-7 tert-Butyl 4-ch... CAS#:1053656-57-7 Di-tert-butyl d... CAS#:24424-99-5 tert-Butyl 4-ch... CAS#:1053656-57-7 Precursor & DownStream Precursor 5 CAS#:1142188-60-0 tert-butyl 4-ox... CAS#:39514-19-7 1-Benzyl-3-Oxo-... CAS#:24424-99-5 Di-tert-butyl d... CAS#:71233-25-5 1-tert-Butyl 4-... DownStream 0 |
| 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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