(6R,8S)-7,7-dichloro-11,11-dimethyl-5-oxa-3λ6-thia-4-azatetracyclo[6.2.1.01,6.04,6]undecane-3,3-dione

• ChemBase编号: 151829
• 分子式: C10H13Cl2NO3S
• 平均质量: 298.18612
• 单一同位素质量: 296.99931964
• SMILES: CC1([C@@H]2CCC31CS(=O)(=O)N1[C@@]3(C2(Cl)Cl)O1)C
• Canonical SMILES: O=S1(=O)CC23[C@]4(N1O4)C([C@H](C3(C)C)CC2)(Cl)Cl
• InChI: InChI=1S/C10H13Cl2NO3S/c1-7(2)6-3-4-8(7)5-17(14,15)13-10(8,16-13)9(6,11)12/h6H,3-5H2,1-2H3/t6-,8?,10+,13?/m0/s1
• InChIKey: HAMBQYFZDBYWHU-DRHCSTJVSA-N

名称和登记号

名称

• IUPAC标准名: (6R,8S)-7,7-dichloro-11,11-dimethyl-5-oxa-3λ^6-thia-4-azatetracyclo[6.2.1.0^1,^6.0^4,^6]undecane-3,3-dione
• IUPAC传统名: (6R,8S)-7,7-dichloro-11,11-dimethyl-5-oxa-3λ^6-thia-4-azatetracyclo[6.2.1.0^1,^6.0^4,^6]undecane-3,3-dione
• 别名: (+)-3,3-二氯-2,N-环氧-外型-10,2-莰烷磺内酰胺; (+)-8,8-二氯樟脑磺哑嗪; [2R-(2α,4aα,7α,8aR*)]-8,8-Dichlorotetrahydro-9,9-dimethyl-4H-4a,7-methanooxazirino[3,2-i][2,1]benzisothiazole 3,3-Dioxide; (+)-[(8,8-Dichlorocamphoryl)sulfonyl]oxaziridine; (+)-3,3-Dichloro-2,N-epoxy-exo-10,2-bornanesultam; (+)-(8,8-Dichlorocamphorylsulfonyl)oxaziridine

登记号

• CAS号: 127184-05-8
• MDL号: MFCD00243015
• Beilstein号: 3653352
• PubChem SID: 24861858; 162245975
• PubChem CID: 16212295

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.37666
• LogD (pH = 7.4): 2.37666
• Log P: 2.37666
• 摩尔折射率: 62.9889 cm^3
• 极化性: 26.158161 Å^3
• 极化表面积: 49.68 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: White Solid
• 比旋光度: [α]20/D +89±3°, c = 0.5% in chloroform

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97.0% (T)
• Empirical Formula (Hill Notation): C10H13Cl2NO3S

详细说明

Sigma Aldrich - 35603

Other Notes
手性氧化剂1,2
包装
5, 25 g in glass bottle

Toronto Research Chemicals - D433990

Oxidizing reagent.