pyridin-2-ol

• ChemBase编号: 75304
• 分子式: C5H5NO
• 平均质量: 95.0993
• 单一同位素质量: 95.03711379
• SMILES: n1c(cccc1)O
• Canonical SMILES: Oc1ccccn1
• InChI: InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
• InChIKey: UBQKCCHYAOITMY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pyridin-2-ol
• IUPAC传统名: 2-pyridone
• 别名: 2(1H)-吡啶酮; 2-吡啶醇; 2-羟基吡啶; pyridin-2-ol; 2-Hydroxypyridine; 2-Hydroxypyridine; 2-Pyridinone; 2(1H)-Pyridone; 2-Pyridinol

登记号

• CAS号: 72762-00-6; 142-08-5
• EC号: 205-520-3
• MDL号: MFCD00006268
• Beilstein号: 105757; 105786
• PubChem SID: 24880131; 162040222; 24895704
• PubChem CID: 8871

理论计算性质

• Acid pKa: 11.70069
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.0461084
• LogD (pH = 7.4): 1.0464396
• Log P: 1.0464656
• 摩尔折射率: 26.1955 cm^3
• 极化性: 10.03658 Å^3
• 极化表面积: 33.12 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

• 溶解度: Chloroform; Methanol
• 外观: Off White Solid
• 熔点: 102-111°C; 104-108 °C; 105-107 °C(lit.); 105-107°C; 105-107°C
• 沸点: 280-281 °C(lit.); 280-281°C; 280-281°C
• 闪点: 210°C(410°F)
• 密度: 1.39

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: UV1144050
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: UN2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): III
• 危险公开号: 25-36/37/38
• 安全公开号: 26-36/37-45; 26-45
• TSCA收录: 是
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H315-H319-H335
• GHS警示性声明: P261-P301 + P310-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

产品相关信息

• 纯度: ≥97.0% (HPLC); 95+%; 97%; 98+%
• 级别: purum
• 杂质: ~1% water
• Empirical Formula (Hill Notation): C5H5NO

详细说明

MP Biomedicals - 02151309

For preparation of activated esters of peptides and acylated amino acids.

MP Biomedicals - 05215559

MP Biomedicals Rare Chemical collection

Sigma Aldrich - H56800

包装
25, 100 g in poly bottle
Application
催化剂，用于由环状碳酸酯类化合物和醇类化合物生成 β-氧丙基碳酸酯类化合物的反应1以及聚谷氨酸酯的氨解反应。2

Sigma Aldrich - 56380

Other Notes
制备 1-(烯基)-2-吡啶酮的离析物，可用于 Diels-Alder 反应1

参考文献

• Bifunctional catalyst for a wide variety of acylation reactions. See, for example: J. Chem. Soc. (C), 89 (1969).
• Reacts with SOCl₂ to form di-2-pyridyl sulfite, a useful reagent for in situ formation of N-sulfinylamines, nitriles, isocyanides and carbodiimides under mild conditions: Tetrahedron Lett., 27, 1925 (1986).
• For use of 2-pyridyl esters as active esters in peptide coupling, see: J. Chem. Soc.(C), 2896 (1971); Chem. Ber., 118, 468 (1985). The group can be introduced on to the N-protected peptide using DCC in pyridine, and is displaced by the amino-residue under mild conditions. For peptide reagents, see Appendix 6. Similar methodology has also been used in an improved preparation of trichloroethyl esters: Synthesis, 24 (1979).