CAS Number175463-32-8
Synonyms2-Methyl-2-propanyl 3-cyano-4-oxo-1-pyrrolidinecarboxylate; 1-Boc-3-cyano-4-pyrrolidinone; 1-Pyrrolidinecarboxylic acid, 3-cyano-4-oxo-, 1,1-dimethylethyl ester; 1-Boc-3-cyano-4-pyrrolidone; T5N CVTJ AVOX1&1&1 DCN; tert-Butyl 3-cyano-4-oxopyrrolidine-1-carboxylate; MFCD01318456; tert-Butyl-3-cyan-4-oxopyrrolidin-1-carboxylat; 4-cyano-1-N-boc pyrrolidin-3-one
Molecular FormulaC10H14N2O3
Molecular Weight210.230
Purity98%
Density1.2±0.1 g/cm3
Boiling Point360.7±42.0 °C at 760 mmHg
Melting Point160-167°C
AppearanceSolid;White to Light yellow powder to crystal
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 175463-32-8 |
| Catalog No. | 2A-9000996 |
| Chinese Name | 1-Boc-3-氰基-4-吡咯烷酮 |
| Synonyms | 2-Methyl-2-propanyl 3-cyano-4-oxo-1-pyrrolidinecarboxylate; 1-Boc-3-cyano-4-pyrrolidinone; 1-Pyrrolidinecarboxylic acid, 3-cyano-4-oxo-, 1,1-dimethylethyl ester; 1-Boc-3-cyano-4-pyrrolidone; T5N CVTJ AVOX1&1&1 DCN; tert-Butyl 3-cyano-4-oxopyrrolidine-1-carboxylate; MFCD01318456; tert-Butyl-3-cyan-4-oxopyrrolidin-1-carboxylat; 4-cyano-1-N-boc pyrrolidin-3-one |
| Molecular Formula | C10H14N2O3 |
| Molecular Weight | 210.230 |
| Purity | 98 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 360.7±42.0 °C at 760 mmHg |
| Melting Point | 160-167°C |
| Appearance | Solid;White to Light yellow powder to crystal |
| Storage Condition | Storage: Sealed, cool, ventilated and dry |
| Packaging | III |
| HTC | 2933990090 |
| SMILES | CC(C)(C)OC(=O)N1CC(=O)C(C#N)C1 |
| InChI Key | RKUQLKRPWWYRIG-UHFFFAOYSA-N |
| Hazard Symbols | 6.1 |
| MSDS | msds/996_1_175463_32_8.pdf |
| Use of | health and chemical hazard data given on this sheet. Storage: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: Melting point:No data Flash point:No data Molecular formula: C10H14N2O3 Molecular weight: 210.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. 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 T+ RIDADR UN3439 Packaging Group III Hazard Class 6.1 HS Code 2933990090 Synthetic Route [tert-butoxycar... CAS#:266353-19-9 tert-Butyl 3-cy... CAS#:175463-32-8 Literature: Fancelli, Daniele; Berta, Daniela; Bindi, Simona; Cameron, Alexander; Cappella, Paolo; Carpinelli, Patrizia; Catana, Cornel; Forte, Barbara; Giordano, Patrizia; Giorgini, Maria Laura; Mantegani, Sergio; Marsiglio, Aurelio; Meroni, Maurizio; Moll, Juergen; Pittala, Valeria; Roletto, Fulvia; Severino, Dino; Soncini, Chiara; Storici, Paola; Tonani, Roberto; Varasi, Mario; Vulpetti, Anna; Vianello, Paola Journal of Medicinal Chemistry, 2005 , vol. 48, # 8 p. 3080 - 3084 N-tert-butoxyca... CAS#:266353-18-8 tert-Butyl 3-cy... CAS#:175463-32-8 Literature: Guo, Xin; Bai, Xiao-Guang; Li, Yi-Liang; An, Zhi-Jiao; Xu, Le-Xing; Han, Li-You; Liu, Ming-Liang; Guo, Hui-Yuan; Wang, Yu-Cheng Archiv der Pharmazie, 2011 , vol. 344, # 8 p. 523 - 529 N-(2-Cyanoethyl... CAS#:44981-94-4 tert-Butyl 3-cy... CAS#:175463-32-8 Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 13, # 24 p. 4399 - 4403 Precursor & DownStream Precursor 6 CAS#:266353-19-9 [tert-butoxycar... CAS#:266353-18-8 N-tert-butoxyca... CAS#:44981-94-4 N-(2-Cyanoethyl... CAS#:3088-42-4 n-(2-cyanoethyl... DownStream 7 CAS#:398491-59-3 tert-Butyl 3-am... CAS#:398495-65-3 5-tert-Butyl 1-... CAS#:175463-34-0 4-Boc-Aminometh... CAS#:197143-33-2 tert-Butyl 3-cy... |
| 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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