115962-35-1 (R)-2-(叔丁氧羰基)-1,2,3,4-四氢异喹啉-3-羧酸

中文名称: (R)-2-(叔丁氧羰基)-1,2,3,4-四氢异喹啉-3-羧酸
英文名称: (R)-2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CAS号
分子式: C₁₅H₁₉NO₄
分子量: 277.32
更新日期: 2026-06-23

名称和标识

中文名: (R)-2-(叔丁氧羰基)-1,2,3,4-四氢异喹啉-3-羧酸
英文名: (R)-2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CAS号: 115962-35-1
分子式: C15H19NO4
分子量: 277.32
中文别名: Boc-D-1,2,3,4-四氢异喹啉-3-羧酸; (R)-N-BOC-1,2,3,4-四氢异喹啉-3-羧酸; (R)-N-叔丁氧羰基-1,2,3,4-四氢异喹啉-3-羧酸; (R)-2-(叔丁氧羰基)-1,2,3,4-四氢异喹啉-3-甲酸; BOC-(3R)-1,2,3,4-四氢异喹啉-3-羧酸; (R)-N-BOC-1,2,3,4-四氢异喹啉-3-甲酸
英文别名: Boc-D-Tic-OH; BOC-D-TIC; BOC-D-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID; N-t-Butyloxycarbonyl-D-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid; N-Boc-D-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid; Boc-D-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic; Boc-(R)-1,2,3,4-tetrahydroisoquino-line-3-carboxylic acid; (R)-N-Boc-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid; (3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid; (3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid; (3R)-N-Boc-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid

物化属性

LogP: 2.40
PSA: 66.84000
储存条件: 密封、在0-6℃下保存
外观: 白色至灰白色固体
密度: 1.2±0.1 g/cm³
折射率: 1.556
沸点: 437.6±45.0 °C (760 mmHg)
熔点: 122-123℃
精确质量: 277.131409
蒸汽压: 0.0±1.1 mmHg (25°C)
酸度系数(pKa): 3.88±0.20 (Predicted)
闪点: 218.5±28.7 °C

安全信息

安全说明

危险性质：非危险化学品

生产及用途

用途与制备

化学合成；生命科学。

化学合成；生命科学

合成路线 1（1. 合成：115962-35-1）

产率：100% 合成条件：With sodium hydrogencarbonate In 1,4-dioxane; water at 20℃; for 144 h; 实验步骤：将（S）-1,2,3,4-四氢异喹啉-3-羧酸（50.0g，282mmol）在1,4-二恶烷（1000mL）和水（500mL）的混合物中剧烈搅拌。加入碳酸氢钠（47.4g，564mmol）和Boc酐（67.7g，310mmol），将反应混合物在室温剧烈搅拌6天。将混合物真空浓缩，将残余物溶于水（2000mL）中。加入30％w / v的硫酸氢钠一水合物水溶液（300mL），用氯仿（3×1000mL）萃取混合物。将合并的有机萃取液用盐水洗涤，用硫酸钠干燥并真空浓缩，得到所需化合物（90.0g，定量），为稠浆状物。 LCMS-B：RT 3.64分钟; m / z 178.1 [M-Boc + 2H] +; m / z 276.1 [M-H] - 参考文献：

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