기본 정보
- CAS
33494-80-3- 표준 SMILES
CC(C)(C)OP(=O)([O-])OC(C)(C)C.[K+]- InChIKey
ZSWXMOQFFWMZQH-UHFFFAOYSA-M- 분자식
- C8H18KO4P
- 평균 분자량
- 248.3 g/mol
- 단동위원소 질량
- 248.05797753
이름 및 식별자
- 우선 이름
- Potassium di-tert-butyl phosphate
- IUPAC
- potassium ditert-butyl phosphate
- 영어명
- Potassium di-tert-butyl phosphate
- 분자식
- C8H18KO4P
- 분자량
- 248.3
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
33494-80-3- PubChem CID
- 23674467
- DTXSID
DTXSID20635479- UNII
- FN2DBW7ZF9
물성
구조 계산 물성
- 극성 표면적
- 58.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 196
물리화학적 성질
- 녹는점
- 247 · 247-252°C
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 가루
- 색상
- 하얀색
- InChI
- InChI=1S/C8H19O4P.K/c1-7(2,3)11-13(9,10)12-8(4,5)6;/h1-6H3,(H,9,10);/q;+1/p-1
- InChIKey
- ZSWXMOQFFWMZQH-UHFFFAOYSA-M
- SMILES
- [K+].P([O-])(OC(C)(C)C)(OC(C)(C)C)=O
안전 및 규제
안전 데이터
- wgk
- 3
- tsca
- No
- HS 번호
- 2919900090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Di-tert-butylphosphate Potassium Salt is a catalyst used in organic synthesis. Also used in the preparation of HIV attachment inhibitor BMS-663068.
제조 방법
Potassium di-tert-butyl phosphate synthesis: Di-tert-butyl phosphite (40.36 mmol) was combined with potassium bicarbonate (24.22 mmol) in 35 ml of water. The solution was stirred in an ice bath and potassium permanganate (28.25 mmole) was added in three equal portions over a period of one hour. The reaction was then allowed to continue for another half hour at room temperature. Decolorizing carbon (600 mg) was then incorporated as the reaction was heated to 60 °C for 15 min. The reaction was then vacuum filtered to remove solid magnesium dioxide. The solid was washed several times with water. The filtrate was then combined with one gram of decolorizing carbon and heated at 60°C for another twenty minutes. The solution was filtered again to give a colorless solution, which was then evaporated in vacuo to give the crude potassium di-tert-butyl phosphate salt.
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