(1R,2R)-1,2-diphenylethane-1,2-diamine

• ChemBase编号: 149864
• 分子式: C14H16N2
• 平均质量: 212.29024
• 单一同位素质量: 212.13134852
• SMILES: c1ccc(cc1)[C@H]([C@@H](c1ccccc1)N)N
• Canonical SMILES: N[C@@H]([C@@H](c1ccccc1)N)c1ccccc1
• InChI: InChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/t13-,14-/m1/s1
• InChIKey: PONXTPCRRASWKW-ZIAGYGMSSA-N

名称和登记号

名称

• IUPAC标准名: (1R,2R)-1,2-diphenylethane-1,2-diamine
• IUPAC传统名: (1R,2R)-1,2-diphenylethane-1,2-diamine
• 别名: (1R,2R)-(+)-1,2-二氨基-1,2-二苯基乙烷; (1R,2R)-(+)-1,2-二苯基乙二胺; (1R,2R)-(+)-1,2-二苯基-1,2-乙二胺; (1R,2R)-(+)-1,2-Diamino-1,2-diphenylethane; (1R,2R)-(+)-1,2-Diphenylethylenediamine; (1R,2R)-(+)-1,2-Diphenylethylenediamine; (1R,2R)-(+)-1,2-Diphenyl-1,2-ethanediamine

登记号

• CAS号: 35132-20-8
• MDL号: MFCD00082769
• Beilstein号: 2369988
• PubChem SID: 24862410; 24866759; 162244026
• PubChem CID: 2724998

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -1.8482778
• LogD (pH = 7.4): 0.31417987
• Log P: 2.1460378
• 摩尔折射率: 66.4342 cm^3
• 极化性: 26.751324 Å^3
• 极化表面积: 52.04 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 79-81 °C; 79-83 °C(lit.); 80-84°C
• 比旋光度: [α]20/D +102°, c = 1 in ethanol; [α]20/D +105±2°, c = 1% in methanol; +104 (c=1 in methanol)

安全信息

• 保存注意事项: Air Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: UN3259
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): III
• 危险公开号: 34; 36/37/38
• 安全公开号: 26-36; 26-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Warning
• GHS危险声明: H314-H318; H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P280-P305+P351+P338-P309-P310
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97.0% (T); 97%; 98+%
• 级别: purum
• 光学纯度: ee: 99% (GLC)
• 线性分子式: [C6H5CH(NH2)-]2

详细说明

Sigma Aldrich - 364010

包装
1 g in glass bottle
500 mg in glass bottle

Sigma Aldrich - 42745

Other Notes
用于不对称反应的各种催化剂体系1,2；双(磺酰胺)是强效手性助剂3

参考文献

• In combination with various Lewis acids, forms a number of catalyst systems for asymmetric reactions including Diels-Alder, allylation and aldol reactions: Angew. Chem. Int. Ed., 30, 455 (1991). For use in enantioselective catalytic Diels-Alder reactions, see: J. Am. Chem. Soc., 111, 5493 (1989); Org. Synth. Coll., 9, 67 (1998).
• Chiral solvation agent for determination of enantiomeric excess of chiral acids by NMR.