3-Methylbut-3-en-1-yl 4-methylbenzene-1-sulfonate

HCID 317686CAS 781-03-3

基本情報

標準SMILES: C=C(C)CCOS(=O)(=O)c1ccc(C)cc1
InChIKey: KKRCXGGGEPQALO-UHFFFAOYSA-N
分子式: C12H16O3S
平均分子量: 240.32 g/mol
単同位体質量: 240.08201537

名称と識別子

優先名称: 3-Methylbut-3-en-1-yl 4-methylbenzene-1-sulfonate
IUPAC: 3-methylbut-3-enyl 4-methylbenzenesulfonate
英語名: 1-methyl-4-(3-methylbut-3-enoxysulfonyl)benzene
分子式: C12H16O3S
分子量: 0

名称と別名

781-03-33-Methylbut-3-en-1-yl 4-methylbenzene-1-sulfonateDTXSID80312173RefChem:281068DTXCID802632973-methylbut-3-enyl 4-methylbenzenesulfonate3-METHYLBUT-3-EN-1-YL 4-METHYLBENZENESULFONATE3-Buten-1-ol,3-methyl-, 1-(4-methylbenzenesulfonate)isopentenyl tosylateNSC250986starbld0023881SCHEMBL3215490

名称をさらに表示

1-methyl-4-(3-methylbut-3-enoxysulfonyl)benzene1-Methyl-4-(3-methylbutane-3-phenoxysulfonyl)benzene3-Buten-1-ol, 3-methyl-, 1-(4-methylbenzenesulfonate)

KKRCXGGGEPQALO-UHFFFAOYSA-N3-methyl-3-butene-1-yl tosylateAKOS030255066NSC-250986DS-014118EN300-70662713-METHYL-3-BUTEN-1-OL, 4-METHYLBENZENESULFONATE

データベース識別子

CAS: 781-03-3
PubChem CID: 317686
DTXSID: DTXSID80312173
Nikkaji: J2.259.172J

物性

構造計算による物性

XLogP: 3.2
極性表面積: 51.8 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 5
重原子数: 16
形式電荷: 0
複雑度: 319

物理化学的性質

溶解性: soluble in Chloroform, DCM, Ethyl Acetate
外見: Liquid
色: Yellow

化学と産業

応用分野

使用Isopentenyl Tosylate is an intermediate in the synthesis of Isopentenyl Pyrophosphate Triammonium Salt (I821850) which is used for the preparation of antitumor agents phosphohalohydrins.