4,8-di-tert-butyl-2,10-dimethyl-12H-dibenzo[d,g][1,3,2]dioxaphosphocine 6-oxide | 15233-97-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: 4,8-di-tert-butyl-2,10-dimethyl-12H-dibenzo[d,g][1,3,2]dioxaphosphocine 6-oxide
• 英文别名: Methylenbis(6-t-butyl-4-methyl-o-phenylen)hydrogenphosphit；1,9-ditert-butyl-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide
• CAS: 15233-97-3
• 化学式: C₂₃H₃₁O₃P
• mdl: MFCD00355529
• 分子量: 386.471
• InChiKey: LVDRGWMJYXZLDB-UHFFFAOYSA-N

物化性质

• 熔点：
  155-157 °C
• 沸点：
  472.1±45.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,8-di-tert-butyl-2,10-dimethyl-12H-dibenzo[d,g][1,3,2]dioxaphosphocine 6-oxide 在 aluminum oxide 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 11.0h， 生成 苯并环丁烯酮
  参考文献：
  名称：

  Synthetic Approach to Benzocyclobutenones Using Visible Light and a Phosphonate Auxiliary

  摘要：

  Reported herein is a two-step procedure to synthesize benzocyclobutenones from (o-alkylbenzoyl)-phosphonates. It consists of a visible-light-driven cyclization reaction forming phosphonate-substituted benzocyclobutenols and subsequent elimination reaction of the H-phosphonate, which assumes a key role as the recyclable auxiliary. A wide variety of functionalized benzocyclobutenones, which include those difficult to synthesize by conventional methods, are efficiently synthesized.

  DOI：

  10.1021/acs.orglett.8b00160
• 作为产物：
  描述：

  2,2'-亚甲基双-(4-甲基-6-叔丁基苯酚) 在 乙醇 、 三氯化磷 作用下， 以 甲苯 为溶剂， 反应 4.0h， 生成 4,8-di-tert-butyl-2,10-dimethyl-12H-dibenzo[d,g][1,3,2]dioxaphosphocine 6-oxide
  参考文献：
  名称：

  新型双膦酸盐衍生物的合成及生物活性

  摘要：

  新型双-(2,10-二甲基-4,8-​​二叔丁基-12H-6-氧化-二苯并[d,g][1,3,2]二氧磷-6-基)2/3的合成4-取代的苯基/杂芳基-甲烷通过Pudovic反应完成。将等摩尔量的 2,2'-亚甲基-双(6-叔丁基-4-甲基苯酚) 1 和 EtOH 添加到 PCl 3 中得到环状缩合产物。这与各自的醛反应，然后用1的一氯化磷(III)处理，形成相应的二膦酸盐中间体，随后在回流温度下搅拌，从P(III)状态重排为P(V)状态。

  DOI：

  10.3987/com-07-11246

文献信息

• Hydrophosphonylation of activated alkenes and alkynes via fluoride ion activation in ionic liquid medium
  作者：E. Balaraman、Venu Srinivas、K.C. Kumara Swamy

  DOI：10.1016/j.tet.2009.06.096

  日期：2009.9

  hydro/hydrothiophosphonylation of Baylis–Hillman adducts, substituted allyl bromides, allenylphosphonates and alkynes, promoted by fluoride ion in ionic liquid, is described. Clear-cut evidence for fluoride activation of the phosphite via pentacoordinate phosphorus is provided for the first time. Also, in a comparative reaction, the product obtained was different from that from the palladium catalyzed

  描述了由离子液体中的氟离子促进的一种简单的无过渡金属的Baylis-Hillman加合物，取代的烯丙基溴，烯丙基膦酸酯和炔烃的加氢/加氢硫代膦酰基化反应。首次提供了通过五配位磷活化亚磷酸盐的氟化物的明确证据。另外，在比较反应中，得到的产物不同于钯催化的产物。关键产品的结构已通过X射线晶体学证明。
• 2-OXOIMIDAZOLIDINE-4-CARBOXAMIDES AS NAV1.8 INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20210403457A1

  公开（公告）日：2021-12-30

  Novel compounds of the structural formula (I), and the pharmaceutically acceptable salts thereof, are inhibitors of Na v 1.8 channel activity and may be useful in the treatment, prevention, management, amelioration, control and suppression of diseases mediated by Na v 1.8 channel activity. The compounds of the present invention may be useful in the treatment, prevention or management of pain disorders, cough disorders, acute itch disorders, and chronic itch disorders.

  结构式（I）的新化合物及其药用盐是Nav1.8通道活性的抑制剂，可能在治疗、预防、管理、改善、控制和抑制由Nav1.8通道活性介导的疾病中有用。本发明的化合物可能在治疗、预防或管理疼痛障碍、咳嗽障碍、急性瘙痒障碍和慢性瘙痒障碍中有用。
• Conversion of<i>Meso</i>to<i>dl</i>Form and Vice Versa in Bisphosphonates: Synthesis and Structures of New<i>Meso</i>,<i>dl</i>and (<i>Meso + dl</i>) Bisphosphonates Derived from Cyclic Phosphites and Dialkyl Acetylenedicarboxylates
  作者：K. C. Kumara Swamy、E. Balaraman

  DOI：10.1055/s-2004-834906

  日期：——

  The bisphosphonates [(OCH 2 CR 2 -CH 2 O)P(O)CHC(O)OR'] 2 [R = R' = Me (5), R = Me, R' = Et (6), R = Et, R' = Me (7), R = R' = Et (8)], [CH 2 (6-t-Bu-4-Me-C 6 H 4 O) 2 P(O)CHC(O)OR] 2 [R = Me (9), Et (10)] and [(OCH 2 CMe 2 -CH 2 O)P(S)CHC(O)OR] 2 [R = Me (11), Et (12)] have been prepared by the reaction of the corresponding cyclic phosphites with dimethyl acetylenedicarboxylate or diethyl acetylenedicarboxylate

  双膦酸盐[(OCH 2 CR 2 -CH 2 O)P(O)CHC(O)OR'] 2 [R = R' = Me (5), R = Me, R' = Et (6), R = Et, R' = Me (7), R = R' = Et (8)], [CH 2 (6-t-Bu-4-Me-C 6 H 4 O) 2 P(O)CHC(O) OR] 2 [R = Me (9), Et (10)] 和 [(OCH 2 CMe 2 -CH 2 O)P(S)CHC(O)OR] 2 [R = Me (11), Et (12) )]已经通过相应的环状亚磷酸酯与乙炔二羧酸二甲酯或乙炔二甲酸二乙酯在碱[Et 3 N或n-BuLi]存在下反应制备。6的dl-、meso和(dl + meso)形式[6a、6b和6ab]以及8的meso形式的结构由X射线晶体学确定。通过组合 X 射线结构和 3 1 P NMR 光谱研究，表明介观形式可以转化为
• SIRT1 modulators for manipulating cell/organism lifespan/stress response
  申请人：President and Fellows of Harvard College

  公开号：EP2289504A2

  公开（公告）日：2011-03-02

  Provided herein are methods and compositions for modulating the activity of sirtuin deacetylase protein family members; p53 activity; apoptosis; lifespan and sensitivity to stress of cells and organisms. Exemplary methods comprise contacting a cell with an activating compound, such as a flavone, stilbene, flavanone, isoflavone, catechin, chalcone, tannin or anthocyanidin; or an inhibitory compound, such as a sphingolipid, e.g., sphingosine.

  本文提供了用于调节 sirtuin 去乙酰化酶家族成员活性、p53 活性、细胞凋亡、寿命以及细胞和生物体对应激的敏感性的方法和组合物。示例性方法包括使细胞与激活化合物接触，如黄酮、链烯、黄烷酮、异黄酮、儿茶素、查尔酮、单宁或花青素；或与抑制化合物接触，如鞘磷脂，如鞘磷脂。
• phosphororganische Antioxidantien. XII. Synthesen und NMR-Spektren phosphororganischer Antioxidantien und verwandter Verbindungen
  作者：T. K�nig、W. D. Habicher、U. H�hner、J. Pionteck、C. R�ger、K. Schwetlick

  DOI：10.1002/prac.19923340407

  日期：——

  The syntheses of various aliphatic, aromatic, sterically hindered, and cyclic organophosphorus compounds (phosphorous acid esters, ester chlorides and ester amides, hydrogen phosphites, phosphonates and phosphates) are reported, and general procedures for preparation are given.The compounds synthesized were investigated by means of P-31-, H-1- and C-13-n.m.r. spectroscopy, and the chemical shifts measured are listed.