Tris(trimethylsilyl) phosphite
TMSPi · DK604 · 93412-5ML · Trimethylsilanol phosphite · tritrimethylsilyl phosphite · Tris(trimethylsily)phosphite · ris(trimethylsilyl)phosphite · TRIS(TRIMETHYLSILYL)PHOSPHITE
식별자 및 물리적 특성
| CAS No. | 1795-31-9 |
|---|---|
| 분자식 | C9H27O3PSi3 |
| 평균 분자량 | 298.54 g/mol |
| 단동위원소 질량 | 298.10056094 g/mol |
| SMILES | C[Si](C)(C)OP(O[Si](C)(C)C)O[Si](C)(C)C |
| InChIKey | VMZOBROUFBEGAR-UHFFFAOYSA-N |
| PubChem CID | 137213 |
| EC No. | 679-684-3 |
| DTXSID | DTXSID70170820 |
화학 및 물리적 성질
| 극성 표면적 | 27.7 |
|---|---|
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 179 |
| 끓는 점 | 78-81 °C/8 mmHg (lit.) |
| 밀도 | 0.893 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.409(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | RT, stored under nitrogen |
| 물리적 상태 | 액체 |
| 비중 | 0.893 |
| 색상 | 무색의 |
| 용해도 | 물에 거의 용해되지 않습니다. |
| BRN | 2043814 |
| InChI | InChI=1S/C9H27O3PSi3/c1-14(2,3)10-13(11-15(4,5)6)12-16(7,8)9/h1-9H3 |
| InChIKey | VMZOBROUFBEGAR-UHFFFAOYSA-N |
| SMILES | [Si](C)(C)(OP(O[Si](C)(C)C)O[Si](C)(C)C)C |
안전 및 규제
| GHS 분류 | WarningH315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 15-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/33063 |
| Hazard Classes and Categories | Skin Irrit. 2 (95.7%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | No |
| 운송 번호(UN) | 1760 |
| 관세 코드 | 29319000 |
| 위험 문구(R) | 36/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 포장분류 | III |
| 위험 등급 | 8 |
| F 고인화성물질 | 10-21 |
용도
용도
Tris(trimethylsilyl) Phosphite is used in the studies of bisphosphonic acids as effective inhibitor of glutamine synthetase, a promising approach for the discovery of novel drugs against tuberculosis. It also acts as a reagent in the preparation of substituted calix[4]arenes bearing one or two α-hydroxymethylphosphonic acid fragments at upper rim of macrocycle as inhibitors of glutathione S-transferase in vitro.
제조 및 합성 방법
제조 방법
By silylation of anhydrous phosphorous acid (dried by repeated azeotropic evaporation of a solution in THF with dry benzene) with excess Chlorotrimethylsilane and excess Triethylamine in dimethoxyethane, toluene, or Et2O-THF, followed by evaporation of the solvent and vacuum distillation of the residue. The residue, which contains a mixture of tris(trimethylsilyl) phosphite and bis(trimethylsilyl) phosphonate [HP(O)(OTMS)2], can also be heated with sodium (140 °C, 13-22 h), followed by vacuum distillation to obtain pure tris(trimethylsilyl) phosphite.