bis(4-methoxyphenyl)methanol

• ChemBase编号: 149697
• 分子式: C15H16O3
• 平均质量: 244.28574
• 单一同位素质量: 244.10994437
• SMILES: COc1ccc(cc1)C(c1ccc(cc1)OC)O
• Canonical SMILES: COc1ccc(cc1)C(c1ccc(cc1)OC)O
• InChI: InChI=1S/C15H16O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10,15-16H,1-2H3
• InChIKey: ZODAOVNETBTTJX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(4-methoxyphenyl)methanol
• IUPAC传统名: bis(4-methoxyphenyl)methanol
• 别名: 双(4-甲氧苯基)甲醇; 4,4'-二甲氧基二苯甲醇; 4,4'-二甲氧基二苯基甲醇; Bis(4-methoxyphenyl)carbinol; 4,4′-Dimethoxybenzhydrol; Bis(4-methoxyphenyl) carbinol; 4,4'-Dimethoxydiphenylmethanol; 4,4'-Dimethoxybenzhydrol

登记号

• CAS号: 728-87-0
• EC号: 211-975-9
• MDL号: MFCD00008410
• Beilstein号: 748532
• PubChem SID: 162243859; 24849993
• PubChem CID: 69768

理论计算性质

• Acid pKa: 13.760896
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.6747937
• LogD (pH = 7.4): 2.6747935
• Log P: 2.6747937
• 摩尔折射率: 70.0831 cm^3
• 极化性: 27.406294 Å^3
• 极化表面积: 38.69 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 67-70 °C(lit.); 69-71°C

安全信息

• 德国WGK号: 3
• TSCA收录: 否
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 98+%; 99%
• 线性分子式: (CH3OC6H4)2CHOH

详细说明

Sigma Aldrich - 162582

包装
10 g in poly bottle

参考文献

• Reagent for the N-protection of amides, useful in the protection of glutamine and asparagine residues in peptide synthesis. Substitution of the OH group with amide and a variety of other N functionalities occurs readily in AcOH with H₂SO₄ catalysis: Chem. Ber., 103, 2041 (1970); Synthesis, 495 (1996). Deprotection occurs in TFA.