CAS: 90600-20-7; (S)-2-((Tert-Butoxycarbonyl)Amino)Pent-4-Enoic Acid

• 英文名称(S)-2-((Tert-Butoxycarbonyl)Amino)Pent-4-Enoic Acid
• 中文名称Boc-L-烯丙基甘氨酸
• IUPAC名称(S)-2-((tert-butoxycarbonyl)amino)pent-4-enoic acid
• 其它别名(S)-N-tert-Butoxycarbonyl-2-amino-4-pentenoic acid
• CAS编号90600-20-7
• MFCD编号:MFCD01320851
• EINECS号:854-236-1
• 分子式:C10H17NO4
• 分子量:215.25
• 产品CID: 1939414
• 产品分类有机原料→生命科学→氨基酸及其衍生物→甘氨酸及其衍生物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: BUPDPLXLAKNJMI-ZETCQYMHSA-N
• InChI=1S/C10H17NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h5,7H,1,6H2,2-4H3,(H,11,14)(H,12,13)/t7-/m0/s1…
• 计算化学: 氢键受体数3.0氢键供体数2.0可旋转键数4.0

相似化合物

物理性质

• 沸点334.3°C at 760 mmHg
• 闪点166.7±25.9°C
• 密度1.1835 (粗估)
• PH:10.5 º (c=1, methanol)
• pKa:3.83±0.10(预测)
• PSA:75.63
• LogP:1.5404
• 旋光度10.5º(C=1,METHANOL)
• 折射率1.4610 (估算)
• 蒸汽压6.73E-06 mmHg at 25 °C
• 溶解性Chloroform, Methanol
• 外观形态透明淡黄色粘稠液体
• 储存条件2-8°C
• 产品应用该化合物用于制备包括天然氨基酸内分泌碘在内的类类似物时使用的一种受BOC保护的甲状腺甘油.

MSDS等安全信息

• GHS符号GHS07
• 危险类别急性毒性 类别4(经口)
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2A
• 警示词Warning
• 危险描述H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 安全声明24/25

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 (S)-N-Boc-Allylglycine 主要起始原料 L-Allylglycine And Di-Tert-Butyl Dicarbonate
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  24424-99-5 + 195316-72-4 = 90600-20-7
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海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905143000-叔丁醇
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