(R)-Methyl p-tolylsulfoxide

HCID 10913262

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1519-39-7
표준 SMILES: Cc1ccc([S@@](C)=O)cc1
InChIKey: FEVALTJSQBFLEU-SNVBAGLBSA-N
분자식: C8H10OS
평균 분자량: 154.23 g/mol
단동위원소 질량: 154.04523611

이름 및 식별자

우선 이름: (R)-Methyl p-tolylsulfoxide
IUPAC: 1-methyl-4-[(R)-methylsulfinyl]benzene
영어명: (R)-(+)-Methyl p-tolyl sulfoxide
분자식: C8H10OS
분자량: 154.23

이름 및 동의어

(R)-METHYL P-TOLYLSULFOXIDERefChem:407409(+)-Methyl p-tolyl sulfoxide604-821-01519-39-7(R)-(+)-Methyl p-tolyl sulfoxide(R)-1-methyl-4-(methylsulfinyl)benzeneMFCD001515021-methyl-4-[(R)-methylsulfinyl]benzene1-[(R)-METHANESULFINYL]-4-METHYLBENZENE(r)-methyl p-tolyl sulfoxideDTXSID00448185

이름 더 보기

(R)-methyl4-methylphenylsulfoxide1-Methanesulfinyl-4-methyl-benzene(R)-(+)-Methyl p-tolyl sulfoxide 99%Benzene, 1-methyl-4-[(R)-methylsulfinyl]-

(R)-(+)-methyl p-tolylsulfoxide(R)-(+)-methyl rho-tolyl sulfoxide(R)-(+)-Methyl p-tolyl sulfoxide, 99%methyl 4-methylphenyl sulfoxideSCHEMBL10942371-[(R)-METHANESULFINYR-(+)-Methyl P-Tolyl sulfoxide4-methyl-1-(methylsulfinyl)benzene

데이터베이스 식별자

CAS: 1519-39-7
PubChem CID: 10913262
DTXSID: DTXSID00448185
EC Number: 604-821-0
Nikkaji: J3.787.112E

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 36.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 125

물리화학적 성질

녹는점: 73 · 73-75 °C(lit.)
끓는 점: 247.62 °C · 247.62°C (rough estimate)
밀도: 1.1125 · 1.1125 (rough estimate)
굴절률: 1.578 · 1.5780 (estimate)
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 고체
BRN: 2040677 · 2040677
InChI: 1S/C8H10OS/c1-7-3-5-8(6-4-7)10(2)9/h3-6H,1-2H3/t10-/m1/s1
InChIKey: FEVALTJSQBFLEU-SNVBAGLBSA-N
SMILES: Cc1ccc(cc1)S(C)=O

안전 및 규제

GHS 분류

GHS ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
HS 번호: 2930909899
safety_code: 22-24/25
F 고인화성물질: 3-10
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도Used in asymmetric synthesis; adds diastereoselectively to carbony compounds, esters, imines, nitrones, and nitrile oxides.

일반 설명(R)-(+)-Methyl p-tolyl sulfoxide may be used to prepare (R)-(+)-methyl 3,5-dimethoxy-6-[8-oxo-9-(p-tolylsulfinyl) nonyl] benzoate, an intermediate for (R)-lasiodiplodin synthesis. Its anions undergo addition reaction with nitrones to form optically active a-substituted N-hydroxylamines. (R)-(+)-Methyl p-tolyl sulfoxide also reacts with O-mesitylsulfonylhydroxylamine (MSH) to form (-)-(R)-S-methyl-S-p-tolylsulfoximine.