2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(3-(6-(5-(dimethylamino)naphthalene-1-sulfonamido)hexanoyloxy)propylthio)propanoic acid | 1015247-52-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(3-(6-(5-(dimethylamino)naphthalene-1-sulfonamido)hexanoyloxy)propylthio)propanoic acid
• 英文别名: (2R)-3-[3-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyloxy]propylsulfanyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
• CAS: 1015247-52-5
• 化学式: C₃₉H₄₅N₃O₈S₂
• 分子量: 747.934
• InChiKey: YIWAANOMDFTCQO-UMSFTDKQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  52
• 可旋转键数：
  21
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  185
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  6-(5-(dimethylamino)-naphthalen-1-ylsulfonylamino)-hexanoic acid allyl ester 、 芴甲氧羰基-L-半胱氨酸 在 偶氮二异丁腈 作用下， 以 1,2-二氯乙烷 为溶剂， 以35%的产率得到2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(3-(6-(5-(dimethylamino)naphthalene-1-sulfonamido)hexanoyloxy)propylthio)propanoic acid
  参考文献：
  名称：

  Racemization-Free Synthesis of S-Alkylated Cysteines via Thiol-ene Reaction

  摘要：

  [GRPAHICS]Treatment of differently protected and unprotected cysteines with a variety of alkenes in the presence of a radical initiator (AIBN) afforded the corresponding S-alkylated cysteines in high yields and without racemization.

  DOI：

  10.1021/jo800198s

文献信息

• Racemization-Free Synthesis of S-Alkylated Cysteines via Thiol-ene Reaction
  作者：Gemma Triola、Luc Brunsveld、Herbert Waldmann

  DOI：10.1021/jo800198s

  日期：2008.5.1

  [GRPAHICS]Treatment of differently protected and unprotected cysteines with a variety of alkenes in the presence of a radical initiator (AIBN) afforded the corresponding S-alkylated cysteines in high yields and without racemization.