디에틸(메틸술포닐메틸)포스포네이트

Diethyl (methanesulfonylmethyl)phosphonate

HCID 533797

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 40137-11-9
표준 SMILES: CCOP(=O)(CS(C)(=O)=O)OCC
InChIKey: DFCKGLGTOXDULU-UHFFFAOYSA-N
분자식: C6H15O5PS
평균 분자량: 230.22 g/mol
단동위원소 질량: 230.03778175

이름 및 식별자

우선 이름: Diethyl (methanesulfonylmethyl)phosphonate
IUPAC: 1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethane
현지명: 디에틸(메틸술포닐메틸)포스포네이트
영어명: Diethyl(methylsulfonylmethyl)phosphonate
분자식: C6H15O5PS
분자량: 230.22

이름 및 동의어

40137-11-9diethyl (methanesulfonylmethyl)phosphonateRefChem:587032676-281-4Diethyl ((methylsulfonyl)methyl)phosphonatePhosphonic acid, [(methylsulfonyl)methyl]-, diethyl esterdiethyl methylsulfonylmethylphosphonateDiethyl(methylsulfonylmethyl)phosphonate1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethaneMFCD00181919diethyl [(methylsulfonyl)methyl]phosphonateDiethyl((methylsulfonyl)methyl)phosphonate

이름 더 보기

디에틸(메틸술포닐메틸)포스포네이트Diethyl?P-[(methylsulfonyl)methyl]phosphonatePhosphonic acid, P-[(methylsulfonyl)methyl]-, diethyl ester

diethyl[(methylsulfonyl)methyl]phosphonateC6H15O5PSSCHEMBL159202QBA13711AKOS025286339AS-70402SY047767Diethyl (methylsulfonyl)methylphosphonate #

데이터베이스 식별자

CAS: 40137-11-9
PubChem CID: 533797
EC Number: 676-281-4
Nikkaji: J622.767H

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 78.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 13
형식 전하: 0
복잡도: 268

물리화학적 성질

녹는점: 93 · 93-95°C
끓는 점: 373.6 · 373.6±25.0 °C(Predicted)
밀도: 1.241 · 1.241±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 2 Cl2, · sol acetone, CH2Cl2, DME, THF.
InChI: InChI=1S/C6H15O5PS/c1-4-10-12(7,11-5-2)6-13(3,8)9/h4-6H2,1-3H3
InChIKey: DFCKGLGTOXDULU-UHFFFAOYSA-N
SMILES: P(CS(C)(=O)=O)(=O)(OCC)OCC

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

응용 분야

용도Diethyl Methylsulfonylmethylphosphonate is used for the preparation of synthetically versatile vinyl sulfones from aldehydes and ketones.

제조 방법 · 1건

Preparative Methods: conveniently prepared by oxidation of Diethyl Methylthiomethylphosphonate (eq 1). Both inorganic oxidants (e.g. Potassium Permanganate in water or Hydrogen Peroxide/Selenium(IV) Oxide) and organic oxidants (e.g. Peracetic Acid in ether or m-Chloroperbenzoic Acid in CH2Cl2 ) have been used to accomplish this transformation.