diethyl N-<4-<<2-(pivaloylamino)-4-hydroxy-5,6,7,8-tetrahydropyrido<2,3-d>pyrimidin-6-yl>ethyl>benzoyl>-L-glutamate | 116387-28-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: diethyl N-<4-<<2-(pivaloylamino)-4-hydroxy-5,6,7,8-tetrahydropyrido<2,3-d>pyrimidin-6-yl>ethyl>benzoyl>-L-glutamate
• 英文别名: Diethyl N-<4-<2-<2-(Pivaloylamino)-3,4,5,6,7,8-hexahydro-4-oxo-5-deazapteridin-6-yl>ethyl>benzoyl>-L-glutamate；diethyl N-(4-[2-(2-pivaloylamino-4-hydroxy-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoyl)-L-glutamate；diethyl (2S)-2-[[4-[2-[2-(2,2-dimethylpropanoylamino)-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl]amino]pentanedioate
• CAS: 116387-28-1
• 化学式: C₃₀H₄₁N₅O₇
• 分子量: 583.685
• InChiKey: GSJIJGHLPKQCFT-BPARTEKVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  42
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  164
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  diethyl N-<4-<<2-(pivaloylamino)-4-hydroxy-5,6,7,8-tetrahydropyrido<2,3-d>pyrimidin-6-yl>ethyl>benzoyl>-L-glutamate 在 sodium hydroxide 作用下， 反应 70.0h， 以50%的产率得到5,10-dideaza-5,6,7,8-tetrahydrofolic acid
  参考文献：
  名称：

  Convergent and efficient palladium-effected synthesis of 5, 10-dideaza-5,6,7,8-tetrahydrofolic acid (DDATHF)

  摘要：

  DOI：

  10.1021/jo00276a023
• 作为产物：
  描述：

  4-碘苯甲酰氯 在 palladium on activated charcoal copper(l) iodide 、 氢气 、 三乙胺 、 三苯基膦 、 palladium dichloride 作用下， 以 二氯甲烷 、 乙腈 、 三氟乙酸 为溶剂， 25.0 ℃ 、365.42 kPa 条件下， 反应 28.0h， 生成 diethyl N-<4-<<2-(pivaloylamino)-4-hydroxy-5,6,7,8-tetrahydropyrido<2,3-d>pyrimidin-6-yl>ethyl>benzoyl>-L-glutamate
  参考文献：
  名称：

  Convergent and efficient palladium-effected synthesis of 5, 10-dideaza-5,6,7,8-tetrahydrofolic acid (DDATHF)

  摘要：

  DOI：

  10.1021/jo00276a023

文献信息

• Process for the preparation of fused pyridine compounds
  申请人：The Trustees of Princeton University

  公开号：US04818819A1

  公开（公告）日：1989-04-04

  2-Amino-4-hydroxy-6-[2-(4-carboxyphenyl)alk-1-en-1-yl]pyrido[2,3,-d]pyrimid ines and 2-amino-4-hydroxy-6-[2-(4-carboxyphenyl)alk-1-yn-1-yl]pyrido[2,3-d]pyrimid ines are prepared through the reaction of a haloaromatic compound and an unsaturated compound in the presence of a palladium catalyst. The products are chemical intermediates for the preparation of antineoplastic agents. A typical embodiment is the reaction of a protected 2-amino-4-hydroxy-6-ethynylpyrido[2,3-d]pyrimidine and an ester of 4-iodobenzoic acid.

  2-氨基-4-羟基-6-[2-(4-羧基苯基)烯基]吡啶[2,3-d]嘧啶和2-氨基-4-羟基-6-[2-(4-羧基苯基)炔基]吡啶[2,3-d]嘧啶是在钯催化剂存在下，卤代芳香化合物和不饱和化合物反应制备而成。该产品是抗肿瘤药物制备的化学中间体。典型实施方式是保护的2-氨基-4-羟基-6-乙炔基吡啶[2,3-d]嘧啶和4-碘苯甲酸酯反应。
• 6-alkenyl and ethynyl derivatives of
  申请人：The Trustees of Princeton University

  公开号：US04902796A1

  公开（公告）日：1990-02-20

  2-Amino-4-hydroxy-6-[2-(4-carboxyphenyl)alk-1-en-1-yl]pyrido[2,3,-d]pyrimid ines and 2-amino-4-hydroxy-6-[2-(4-carboxyphenyl)alk-1-yn-1-yl]pyrido[2,3-d]pyrimid ines are prepared through the reaction of a halo-aromatic compound and an unsaturated compound in the prosence of a palladium catalyst. The products are chemical intermediates for the preparation of antineo-plastic agents. A typical embodiment is the reaction of a protected 2-amino-4-hydroxy-6-ethynylpyrido[2,3-d]pyrimidine and an ester of 4-iodobenzoic acid.

  2-氨基-4-羟基-6-[2-(4-羧基苯基)烯基]吡啶[2,3-d]嘧啶和2-氨基-4-羟基-6-[2-(4-羧基苯基)炔基]吡啶[2,3-d]嘧啶是通过在钯催化剂的存在下，卤素芳香化合物和不饱和化合物的反应制备而成。这些产物是制备抗肿瘤药物的化学中间体。一个典型的实施例是保护的2-氨基-4-羟基-6-乙炔基吡啶[2,3-d]嘧啶和4-碘苯甲酸酯的反应。
• TAYLOR, EDWARD C.;WONG, GEORGE S. K., J. ORG. CHEM., 54,(1989) N5, C. 3618-3624
  作者：TAYLOR, EDWARD C.、WONG, GEORGE S. K.

  DOI：——

  日期：——
• TAYLOR, EDWARD C.;HARRINGTON, PHILIP M., J. ORG. CHEM., 55,(1990) N0, C. 3222-3227
  作者：TAYLOR, EDWARD C.、HARRINGTON, PHILIP M.

  DOI：——

  日期：——
• TAYLOR, EDWARD C.;HARRINGTON, PHILIP M.
  作者：TAYLOR, EDWARD C.、HARRINGTON, PHILIP M.

  DOI：——

  日期：——