1-(트리페닐포스포라닐리덴)-2-프로파논
1-(트리페닐포스포라닐리덴)-2-프로파논 · 1-트라이페닐포스포라닐이덴-2-프로판온 · 1-(TRIPHENYLPHOSPHORANYLIDENE)-2-PROPANONE · 1-(Triphenylphosphoranylidene)propan-2-one · triphenylphosphoranylidene-2-propanon · (2-Oxopropylidene)triphenylphosphorane · NSC 407394 · 1-(TriphenyL
식별자 및 물리적 특성
| CAS No. | 1439-36-7 |
|---|---|
| 분자식 | C21H19OP |
| 평균 분자량 | 318.3 g/mol |
| 단동위원소 질량 | 318.11735186 g/mol |
| SMILES | CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChIKey | KAANTNXREIRLCT-UHFFFAOYSA-N |
| PubChem CID | 15038 |
| EC No. | 215-878-2 |
| DTXSID | DTXSID60162572 |
| 현지명 | 1-(트리페닐포스포라닐리덴)-2-프로파논 |
화학 및 물리적 성질
| XLogP | 3.6 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 23 |
| 형식 전하 | 0 |
| 복잡도 | 382 |
| SpringerMaterials Properties | Chemical shift |
| 녹는점 | 203-205 °C (lit.) |
| 끓는 점 | 478.5±28.0 °C(Predicted) |
| 밀도 | 1.14 |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | 클로로포름에 용해됩니다. 메탄올에 약간 용해됩니다. |
| 물리적 상태 | 가루 |
| 색상 | 흰색에서 황백색까지 |
| BRN | 750077 |
| 안정성 | 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다. |
| InChI | InChI=1S/C21H19OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3 |
| InChIKey | KAANTNXREIRLCT-UHFFFAOYSA-N |
| SMILES | C(=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)C |
화학적 성질
white to light beige crystalline 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 2-Propanone, 1-(triphenylphosphoranylidene)-Acetylmethylenetriphenylphosphorane: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | UC3900000 |
| 관세 코드 | 29319090 |
| 위험 문구(R) | 22-36/37/38 |
| 안전 문구(S) | 22-24/25 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
(Acetylmethylene)triphenylphosphorane is used as a Wittig reagent in synthetic chemistry, especially for the synthesis of functionalized pyrrolidines and cyclobutanones. It plays as a vital role in asymmetric allylboration for enantioselective synthesis of (+)-awajanomycin.It is also employed as a reactant in the preparation of 1,2-dioxanes with antitrypanosomal activity. Further, it is used in the preparation of amphibian pyrrolizidine alkaloids through allylic aminations and silicon-containing acyclic dienone musk odorants. In addition to this, it is involved in Domino Suzuki/Heck coupling reactions to prepare fluorenylidenes.