Tert-butyl N-(benzyloxy)carbamate
N-Boc-O-benzylhydroxylamine · TERT-BUTYL BENZYLOXYCARBAMATE · ZONBoc · Xanthoanthrafil-d3 · LABOTEST-BB LT00452293 · TERT-BUTYL N-(BENZYLOXY)CARBAMATE · tert-Butyl (benzyloxy)carbamate 99% · tert-Butyl N-(Benzyloxy)carbamate >tert-Butyl N-(benzyloxy)carbamate ,98%
식별자 및 물리적 특성
| CAS No. | 79722-21-7 |
|---|---|
| 분자식 | C12H17NO3 |
| 평균 분자량 | 223.27 g/mol |
| 단동위원소 질량 | 223.1208434 g/mol |
| SMILES | CC(C)(C)OC(=O)NOCc1ccccc1 |
| InChIKey | MZNBNPWFHGWAGH-UHFFFAOYSA-N |
| PubChem CID | 736159 |
| EC No. | 628-800-0 |
| DTXSID | DTXSID30352943 |
화학 및 물리적 성질
| XLogP | 2.5 |
|---|---|
| 극성 표면적 | 47.6 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 217 |
| 녹는점 | 45-47 °C (lit.) |
| 밀도 | 1.078±0.06 g/cm3 (20 ºC 760 Torr) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨) |
| 물리적 상태 | 고체 |
| 색상 | 하얀색 |
| InChI | InChI=1S/C12H17NO3/c1-12(2,3)16-11(14)13-15-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,13,14) |
| InChIKey | MZNBNPWFHGWAGH-UHFFFAOYSA-N |
| SMILES | C(OC(C)(C)C)(=O)NOCC1=CC=CC=C1 |
화학적 성질
White powder
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29280000 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
tert-Butyl N-(benzyloxy)carbamate was used in the preparation of seven-membered cyclic hydroxamic acids. It may be used in the synthesis of 2-(N-formyl-N-hydroxyamino) ethylphosphonate (IPP).
일반 설명
tert-Butyl N-(benzyloxy)carbamate (tert-butyl benzyloxycarbamate), a protected hydroxylamine, is an N-alkyl-N-benzyloxy carbamate. Its C-N cross coupling reaction with fluorescein ditriflate has been reported. It participates in facile intramolecular cyclization with various carbon nucleophiles to afford functionalized 5- and 6-membered protected cyclic hydroxamic acids.