CAS 1519-39-7 (R)-Methyl p-tolylsulfoxide (HCID 10913262)

基本情報

CAS: 1519-39-7
標準SMILES: Cc1ccc([S@@](C)=O)cc1
InChIKey: FEVALTJSQBFLEU-SNVBAGLBSA-N
分子式: C8H10OS
平均分子量: 154.23 g/mol
単同位体質量: 154.04523611

名称と識別子

優先名称: (R)-Methyl p-tolylsulfoxide
IUPAC: 1-methyl-4-[(R)-methylsulfinyl]benzene
現地名: (R)-(+)-メチルP-トリルスルホキシド
英語名: (R)-(+)-Methyl p-tolyl sulfoxide
分子式: C8H10OS
分子量: 154.23

名称と別名

(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

名称をさらに表示

(R)-(+)-メチルP-トリルスルホキシド(R)-(+)-メチル P-トリルスルホキシド(R)-(+)-メチル P-トリルスルホキシド(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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.4
極性表面積: 36.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 125

物理化学的性質

融点: 73 · 73-75 °C(lit.)
沸点: 247.62 °C · 247.62°C (rough estimate)
比旋光度: 145 · 145 º (c=2, acetone)
比重(密度): 1.1125 · 1.1125 (rough estimate)
屈折率: 1.578 · 1.5780 (estimate)
貯蔵温度: 2 · Storage temp. 2-8°C
外見: Solid
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

安全と法規制

GHS分類

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.

危険有害性情報

Hazard Classes and CategoriesNot Classified

安全データ

F: 3-10
wgk: 3
hs_code: 2930909899
safety_code: 22-24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

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

一般的な説明(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.