CAS Number55186-89-5
Synonyms1-benzylhexahydro-1H-1,4-diazepin-5-one; 1-benzylhexahydro-(5H)-1,4-diazepine-5-one; 1-benzyl-(1,4)-diazepan-5-one; 1-Benzyl-1,4-diazepan-5-one; 1-Benzyl-[1,4]diazepan-5-one; hexahydro-1-(phenylmethyl)-5H-1,4-diazepin-5-one; 1-Benzyl-hexahydro-[1,4]diazepin-5-on; 1-benzyl-1,4-diazaperhydroepin-5-one
Molecular FormulaC12H16N2O
Molecular Weight204.268
Purity98%
Density1.1±0.1 g/cm3
Boiling Point379.8±35.0 °C at 760 mmHg
Melting Point115-117ºC
AppearanceWhite to off-white powder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 55186-89-5 |
| Catalog No. | 2A-9000964 |
| Chinese Name | 1-苄基-1,4-二氮杂环庚-5-酮 |
| Synonyms | 1-benzylhexahydro-1H-1,4-diazepin-5-one; 1-benzylhexahydro-(5H)-1,4-diazepine-5-one; 1-benzyl-(1,4)-diazepan-5-one; 1-Benzyl-1,4-diazepan-5-one; 1-Benzyl-[1,4]diazepan-5-one; hexahydro-1-(phenylmethyl)-5H-1,4-diazepin-5-one; 1-Benzyl-hexahydro-[1,4]diazepin-5-on; 1-benzyl-1,4-diazaperhydroepin-5-one |
| Molecular Formula | C12H16N2O |
| Molecular Weight | 204.268 |
| Purity | 98 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 379.8±35.0 °C at 760 mmHg |
| Melting Point | 115-117ºC |
| Appearance | White to off-white powder |
| Storage Condition | 2~8 °C |
| HTC | 2933990090 |
| SMILES | O=C1CCN(Cc2ccccc2)CCN1 |
| InChI | InChI=1S/C12H16N2O/c15-12-6-8-14(9-7-13-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,13,15) |
| InChI Key | DKNOPZCYIDBMNY-UHFFFAOYSA-N |
| MSDS | msds/964_1_55186_89_5.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:No data Melting point:No data Flash point:No data Molecular formula: C12H16N2O Molecular weight: 204.3 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 HS Code 2933990090 Synthetic Route Total: 1 Page N-Benzyl-4-pipe... CAS#:3612-20-2 1-Benzyl-1,4-di... CAS#:55186-89-5 Literature: DAIICHI PHARMACEUTICAL CO., LTD. Patent: EP1591443 A1, 2005 ; Location in patent: Page/Page column 72 ; 1-Benzylpiperid... CAS#:949-69-9 1-Benzyl-1,4-di... CAS#:55186-89-5 Literature: Isobe, Toshio; Ishikawa, Tsutomu Journal of Organic Chemistry, 1999 , vol. 64, # 16 p. 5832 - 5835 Precursor & DownStream Precursor 2 CAS#:3612-20-2 N-Benzyl-4-pipe... CAS#:949-69-9 1-Benzylpiperid... DownStream 3 CAS#:34376-54-0 1,4-Diazepan-5-one CAS#:4410-12-2 1-Benzyl-1,4-Di... CAS#:190900-21-1 tert-Butyl-5-ox... |
| 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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