potassium 2-methylbutan-2-olate

• ChemBase编号: 134512
• 分子式: C5H11KO
• 平均质量: 126.23854
• 单一同位素质量: 126.04469665
• SMILES: CCC(C)(C)[O-].[K+]
• Canonical SMILES: CCC(C)(C)[O-].[K+]
• InChI: InChI=1S/C5H11O.K/c1-4-5(2,3)6;/h4H2,1-3H3;/q-1;+1
• InChIKey: ZRLVQFQTCMUIRM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: potassium 2-methylbutan-2-olate
• IUPAC传统名: potassium 2-methylbutan-2-olate
• 别名: 2-甲基-2-丁醇钾; 叔戊醇钾; 叔戊氧基钾 溶液; 2-甲基-2-丁醇钾; 叔戊醇钾; Potassium (2-methyl-2-butoxide); Potassium tert-pentylate; Potassium tert-pentoxide solution; Potassium 2-methyl-2-butoxide; Potassium tert-amylate; Potassium tert-pentyloxide

登记号

• CAS号: 41233-93-6
• EC号: 255-272-5
• MDL号: MFCD00064808
• Beilstein号: 4149025
• PubChem SID: 24881881; 162228788
• PubChem CID: 23683543

理论计算性质

• Acid pKa: 18.535208
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.057905
• LogD (pH = 7.4): 1.057905
• Log P: 1.057905
• 摩尔折射率: 37.1412 cm^3
• 极化性: 10.265616 Å^3
• 极化表面积: 23.06 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

• 外观: Liquid
• 闪点: <-15 °C; <5 °F; -18°C(0°F); 39.2 °F; 4 °C; 4°C(39°F)
• 密度: 0.80; 0.870; 0.90 g/mL at 20 °C; 0.920 g/mL at 25 °C

安全信息

• 保存注意事项: Air & Moisture Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); X
• 联合国危险货物编号: 2924; UN2924
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 11-14-19-34-37; 11-14-34-48/20-63-67; 11-14-34-50/53-67; 63-11-14-34-48/20-65-67
• 安全公开号: 16-26-36/37/39-45; 16-26-36/37/39-45-62; 8-16-26-33-36/37/39-43-45; 8-16-26-33-36/37/39-43-45-60-61
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS07; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H225-H304-H314-H336-H361d-H373; H225-H314-H318-H361-H373-H336; H225-H314-H318-H400-H410-H336; H225-H314-H335
• GHS警示性声明: P210-P261-P280-P301 + P310-P305 + P351 + P338-P310; P210-P261-P280-P305 + P351 + P338-P310; P210-P280-P273-P305+P351+P338-P310-P501A; P210-P280-P303+P361+P353-P305+P351+P338-P310-P402+P404
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 2
• 欧盟补充危害声明: May form explosive peroxides., Reacts violently with water.; Reacts violently with water.

产品相关信息

• 纯度: 14-18% w/v in cyclohexane; 25% w/w in toluene
• 浓度: ~25% in toluene (T, ~1.7 M); 2 M in THF
• 级别: technical
• 线性分子式: CH3CH2C(CH3)2OK

详细说明

Sigma Aldrich - 60435

Caution
可能结晶；可在加热到大约30°C 时重新溶解
包装
1 L in glass bottle
250 mL in glass bottle

Sigma Aldrich - 702757

包装
100, 500 mL in glass bottle

参考文献

• Strong, hindered base, soluble in hydrocarbon solvents: J. Am. Chem. Soc., 108, 1306 (1987). Has been used in combination with LDA to generate a superbase for the selective metallation of the aralkyl system at the 6-position of protected estradiols: Synthesis, 1493 (1995).