9H-fluoren-9-ylmethanol

• ChemBase编号: 70040
• 分子式: C14H12O
• 平均质量: 196.24448
• 单一同位素质量: 196.088815
• SMILES: C1(c2ccccc2c2ccccc12)CO
• Canonical SMILES: OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C14H12O/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-15H,9H2
• InChIKey: XXSCONYSQQLHTH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9H-fluoren-9-ylmethanol
• IUPAC传统名: 9H-fluorene-9-methanol
• 别名: 9-(羟甲基)芴; 9-芴基甲醇; 9-芴甲醇; 9-(Hydroxymethyl)fluorene; 9-Fluorenylmethanol; 9-Fluorenemethanol; 9H-(Fluoren-9-yl)methanol; 9-(Hydroxymethyl)-9H-fluorene; 9-Fluorenemethanol; 9-Fluorenemethanol; 9-Fluorenylmethanol

登记号

• CAS号: 24324-17-2
• EC号: 246-167-5
• MDL号: MFCD00001139
• Beilstein号: 2330017
• PubChem SID: 162035765; 24849874
• PubChem CID: 90466

理论计算性质

• Acid pKa: 15.227866
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 2.6673136
• LogD (pH = 7.4): 2.6673136
• Log P: 2.6673136
• 摩尔折射率: 61.2737 cm^3
• 极化性: 24.88023 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 102-105 °C; 102-106°C; 102-107°C; 105-107 °C(lit.)

安全信息

• 保存注意事项: IRRITANT; Irritant
• 德国WGK号: 3
• TSCA收录: false; 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥98.0% (HPLC); 95+%; 98%; 99%
• 级别: purum
• Empirical Formula (Hill Notation): C14H12O

详细说明

Sigma Aldrich - 160504

包装
10, 50 g in glass bottle
Application
N-保护试剂1，用于多肽合成。2,3

Sigma Aldrich - 46915

Other Notes
脱氧核糖寡核苷酸合成中的磷酸保护基团1；羧基保护基团2,3,4

参考文献

• Reagent for protection of carboxyl groups as their 9-fluorenylmethyl (Fm) esters, which improve solubility of the molecule in organic solvents. Fm esters can be formed, e.g. by the DCC-DMAP method: Tetrahedron Lett., 24, 281 (1983), or by imidazole-catalyzed transesterification of active esters of N-protected amino acids: Int. J. Pept. Prot. Res., 21, 196 (1983). Cleavage is by hydrogenolysis. See Appendix 6.
• Can also be used to protect phosphate groups in oligonucleotide synthesis: J. Chem. Soc., Chem. Commun., 803 (1973).