(3aR,8aR)-N,N,2,2-tetramethyl-4,4,8,8-tetraphenyl-hexahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine

• ChemBase编号: 140057
• 分子式: C33H34NO4P
• 平均质量: 539.601121
• 单一同位素质量: 539.2225452
• SMILES: CC1(O[C@@H]2[C@@H](O1)C(OP(OC2(c1ccccc1)c1ccccc1)N(C)C)(c1ccccc1)c1ccccc1)C
• Canonical SMILES: CN(P1OC(c2ccccc2)(c2ccccc2)[C@H]2[C@H](C(O1)(c1ccccc1)c1ccccc1)OC(O2)(C)C)C
• InChI: InChI=1S/C33H34NO4P/c1-31(2)35-29-30(36-31)33(27-21-13-7-14-22-27,28-23-15-8-16-24-28)38-39(34(3)4)37-32(29,25-17-9-5-10-18-25)26-19-11-6-12-20-26/h5-24,29-30H,1-4H3/t29-,30-/m1/s1
• InChIKey: DRPNADVMTMEWQY-LOYHVIPDSA-N

名称和登记号

名称

• IUPAC标准名: (3aR,8aR)-N,N,2,2-tetramethyl-4,4,8,8-tetraphenyl-hexahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine
• IUPAC传统名: (3aR,8aR)-N,N,2,2-tetramethyl-4,4,8,8-tetraphenyl-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine
• 别名: (3aR,8aR)-(-)-(2,2-二甲基-4,4,8,8-四苯基-四氢-[1,3]二噁唑并[4,5-e][1,3,2]二噁磷杂庚英-6-基)二甲基胺; (3aR,8aR)-(-)-(2,2-Dimethyl-4,4,8,8-tetraphenyl-tetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)dimethylamine

登记号

• CAS号: 213843-90-4
• MDL号: MFCD04117685
• PubChem SID: 24884738; 162234301
• PubChem CID: 11145951

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 5.9198694
• LogD (pH = 7.4): 7.4603376
• Log P: 7.7171
• 摩尔折射率: 154.9582 cm^3
• 极化性: 61.23678 Å^3
• 极化表面积: 40.16 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 218-221 °C

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

产品相关信息

• 纯度: 96%
• Empirical Formula (Hill Notation): C33H34NO4P

详细说明

Sigma Aldrich - 665460

Application
亚磷酰胺配体，用于丙烯基硼酸酯的铱催化不对称烯丙基化反应。1还用于二乙基锌的铜催化不对称共轭加成至氨基酸衍生的 α,β-不饱和亚胺。2
DSM MonoPhos Family of Highly Efficient Privileged Ligands
包装
100, 500 mg in glass bottle
Legal Information
经 DSM 授权销售，仅供研究之用。