2-methylbenzyl 4-nitrobenzoate | 101097-63-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-methylbenzyl 4-nitrobenzoate
• 英文别名: 4-methylbenzyl 4-nitrobenzoate；4-nitro-benzoic acid-(2-methyl-benzyl ester)；4-Nitro-benzoesaeure-(2-methyl-benzylester)；(2-Methylphenyl)methyl 4-nitrobenzoate
• CAS: 101097-63-6
• 化学式: C₁₅H₁₃NO₄
• 分子量: 271.273
• InChiKey: CNDNTUXIEDOVFH-UHFFFAOYSA-N

物化性质

• 沸点：
  434.4±33.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  邻甲基苯甲酸甲酯 在 甲醇 、 copper oxide-chromium oxide barium oxide 、 氢气 作用下， 160.0 ℃ 、39.22 MPa 条件下， 生成 2-methylbenzyl 4-nitrobenzoate
  参考文献：
  名称：

  芳族酯加氢水解成醇。

  摘要：

  DOI：

  10.1021/ja01181a067

文献信息

• 5,5′-Dimethyl-3,3′-azoisoxazole as a new heterogeneous azo reagent for esterification of phenols and selective esterification of benzylic alcohols under Mitsunobu conditions
  作者：Nasser Iranpoor、Habib Firouzabadi、Dariush Khalili

  DOI：10.1039/c004357e

  日期：——

  3′-azoisoxazole is used as a new efficient heterogeneous azo reagent for the highly selective esterification of primary and secondary benzylic alcohols and phenols with aliphatic and aromatic carboxylic acids via Mitsunobu protocols. The reaction is highly selective for primary benzylic alcohols versus secondary ones, aliphatic alcohols and also phenols. The isoxazole hydrazine byproduct can be simply isolated

  5,5'-二甲基-3,3'-偶氮异恶唑通过Mitsunobu协议，它用作新型高效的异质偶氮试剂，用于伯和仲苄醇和酚与脂肪族和芳香族羧酸的高选择性酯化。该反应对伯苄醇与仲醇，脂族醇以及酚的选择性很高。这异恶唑肼 副产物可以简单地通过过滤分离，并循环到其中 偶氮异恶唑 通过氧化。
• From methylarenes to esters: efficient oxidative Csp_³–H activation promoted by CuO decorated magnetic reduced graphene oxide
  作者：Dariush Khalili、Marzieh Rousta、Ali Khalafi-Nezhad、Edris Ebrahimi

  DOI：10.1039/d2nj00728b

  日期：——

  Magnetic reduced graphene oxide supported CuO (rGO/Fe3O4–CuO) as a heterogeneous catalyst in cross dehydrogenative coupling (CDC) reactions has been demonstrated for the synthesis of esters using methyl aromatics and aldehydes/benzyl alcohols as coupling partners. Various benzylic esters were prepared efficiently from cheap raw chemicals by employing tert-butyl hydroperoxide (TBHP) as a “green” oxidant

  磁性还原氧化石墨烯负载的 CuO (rGO/Fe 3 O 4 –CuO) 作为交叉脱氢偶联 (CDC) 反应中的非均相催化剂已被证明可用于使用甲基芳烃和醛/苯甲醇作为偶联伙伴来合成酯。通过使用叔丁基过氧化氢 (TBHP) 作为“绿色”氧化剂和四正丁基溴化铵 (TBAB)/四正丁基碘化铵 (TBAI) 作为添加剂，从廉价的原料化学品有效地制备了各种苄酯。由于该催化系统的多相性质，使用简单的过滤来分离催化剂。
• Monomer-on-Monomer (MoM) Mitsunobu Reaction: Facile Purification Utilizing Surface-Initiated Sequestration
  作者：Pradip K. Maity、Alan Rolfe、Thiwanka B. Samarakoon、Saqib Faisal、Ryan D. Kurtz、Toby R. Long、Alexander Schätz、Daniel L. Flynn、Robert N. Grass、Wendelin J. Stark、Oliver Reiser、Paul R. Hanson

  DOI：10.1021/ol1022382

  日期：2011.1.7

  A monomer-on-monomer (MoM) Mitsunobu reaction utilizing norbornenyl-tagged (Nb-tagged) reagents is reported, whereby purification was rapidly achieved by employing ring-opening metathesis polymerization, which was initiated by any of three methods utilizing Grubbs catalyst: (i) free catalyst in solution, (ii) surface-initiated catalyst-armed silica, or (iii) surface-initiated catalyst-armed Co/C magnetic nanoparticles.
• Hydrogenolysis of Aromatic Esters to Alcohols
  作者：Ralph Mozingo、Karl Folkers

  DOI：10.1021/ja01181a067

  日期：1948.1