2-(isopropyl)acetaldehyde dimethyl acetal | 60912-32-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(isopropyl)acetaldehyde dimethyl acetal
• 英文别名: N-(2,2-dimethoxy)ethyl-N-isopropylamine；N-(2,2-dimethoxyethyl)-2-propaneamine；N-(2,2-dimethoxyethyl)-2-propanamine；N-(2,2-dimethoxyethyl)propan-2-amine；Isopropylaminoacetaldehyd-dimethylacetal
• CAS: 60912-32-5
• 化学式: C₇H₁₇NO₂
• mdl: MFCD12148852
• 分子量: 147.217
• InChiKey: FUJWQGZPBSWGPX-UHFFFAOYSA-N

物化性质

• 沸点：
  49-51 °C(Press: 20 Torr)
• 密度：
  0.884±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(isopropyl)acetaldehyde dimethyl acetal 在 溶剂黄146 、 mercury dichloride 作用下， 以 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 37.25h， 生成 N-(3,4-dichlorophenyl)-N'-(1-isopropyl-1H-imidazol-2-yl)piperidinecarboxamidine hydrochloride
  参考文献：
  名称：

  Antimalarial Activities of New Guanidylimidazole and Guanidylimidazoline Derivatives

  摘要：

  A series of new guanidylimidazole derivatives was prepared and evaluated in mice and Rhesus monkeys infected with malarial sporozoites. The majority of the new compounds showed poor metabolic stability and weak in vitro activities in three clones of Plasmodium falciparum. Compounds 8a, 8h, 9a, 16a, and 16e cured the mice infected with sporozoites of P. berghei at 160 and 320 mg/kg/day x 3 po. Compounds 8a showed better causal prophylactic activity than primaquine, tafenoquine, and Malarone in the Rhesus test. In the radical curative test, 8a cured one monkey and delayed relapse of another for 74 days at 30 mg/kg/day x 7 by im. By oral dosing, 8a delayed relapse 81 days for one and 32 days for other vs 11-12 days for control monkeys treated with 10 mg/kg of chloroquine by po alone. Compound 8h, which showed superior activity to 8a in mouse test, delayed the relapse of treated monkeys for 21-26 days at 30 mg/kg/day x 7 by oral.

  DOI：

  10.1021/jm200503s
• 作为产物：
  描述：

  在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 4.25h， 以18%的产率得到2-(isopropyl)acetaldehyde dimethyl acetal
  参考文献：
  名称：

  具有螯合的膦二茂铁二氨基碳烯配体的Pd（II）配合物：合成，表征和催化使用Pd催化芳基溴化物的硼化反应。

  摘要：

  我们基于1'-（二苯基膦基）-1-异氰基二茂铁（1）与[PdCl 2（cod）的三组分反应），开发了一条带有P螯合膦基铁茂铁取代基的Pd（II）-氨基卡宾配合物的新颖，直接的路线]（鳕鱼=环辛-1,5-二烯）和亲核胺。根据胺的类型，反应生成无环二氨基卡宾及其饱和（咪唑啉-2-亚烷基）和不饱和（咪唑-2-亚烷基）环状对应物（NHC）。使用（S）-2-（氯甲基）吡咯烷作为亲核试剂，该方法提供了具有平面构型手性二茂铁单元不同构型的可分离的稳定的非对映双环二咪唑啉-2-亚烷基卡宾。使用光谱方法，X射线晶体学和DFT方法对制得的P螯合卡宾进行表征。最后一个用于解释在末端位置具有NHR基团的异构开放二氨基卡宾的形成，Pd-Cl键长的趋势反映了相似的反式卡宾和膦供体的影响，以及循环伏安法测量的结果。此外，在芳族溴化物与双（频哪醇）二硼烷的Miyaura硼酸酯化反应中，羧甲基用作定义的（预）催化剂。当使用优化的催化体系（1

  DOI：

  10.1021/acs.organomet.9b00398

文献信息

• [EN] MTP INHIBITING ARYL PIPERIDINES OR PIPERAZINES SUBSTITUTED WITH 5-MEMBERED HETEROCYCLES<br/>[FR] PIPERIDINES D'ARYLE OU PIPERAZINES SUBSTITUEES PAR DES HETEROCYCLES A 5 RAMIFICATIONS INHIBANT LA MTP
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005085226A1

  公开（公告）日：2005-09-15

  The present invention is concerned with novel aryl piperidine or piperazine compounds substituted with certain 5-membered heterocycles having apoB secretion/MTP inhibiting activity and concomitant lipid lowering activity. The invention further relates to methods for preparing such compounds, pharmaceutical compositions comprising said compounds as well as the use of said compounds as a medicine for the treatment of hyperlipidemia, obesity and type II diabetes (Formula (I)). The invention further relates to methods for preparing such compounds, pharmaceutical compositions comprising said compounds as well as the use of said compounds as a medicine for the treatment of atherosclerosis, pancreatitis, obesity, hyper­triglyceridemia, hypercholesterolemia, hyperlipidemia, diabetes and type II diabetes.

  本发明涉及新颖的芳基哌啶或哌嗪化合物，其被某些含有apoB分泌/MTP抑制活性和伴随的降脂活性的5-成员杂环取代。该发明还涉及制备这种化合物的方法，包括所述化合物的药物组合物以及将所述化合物用作治疗高脂血症、肥胖症和2型糖尿病的药物的用途（公式（I））。该发明还涉及制备这种化合物的方法，包括所述化合物的药物组合物以及将所述化合物用作治疗动脉粥样硬化、胰腺炎、肥胖症、高甘油三酯血症、高胆固醇血症、高脂血症、糖尿病和2型糖尿病的药物的用途。
• [EN] METALLOENZYME INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS DE MÉTALLO-ENZYMES
  申请人：VIAMET PHARMACEUTICALS INC

  公开号：WO2017117393A1

  公开（公告）日：2017-07-06

  The instant invention describes compounds having metalloenzyme modulating activity, and methods of treating diseases, disorders or symptoms thereof mediated by such metalloenzymes.

  这项即时发明描述了具有金属酶调节活性的化合物，以及治疗由这些金属酶介导的疾病、疾病或症状的方法。
• Method for Manufacture of 2-Oxoimidazolidines
  申请人：Peterson John R.

  公开号：US20100222588A1

  公开（公告）日：2010-09-02

  There is provided a method for manufacture of 2-oxoimidazolidines of Formula I comprising one or more of the steps of converting an amine to an acylation agent, condensation of the acylation agent with a bi-functional compound of structure L-C(R 4 )(R 5 )—C(R 2 )(R 3 )—NHR 1 , wherein L is a leaving group, and ring closure of the resulting urea. In this manner, certain 2-oxoimidazolidines may be manufactured that are useful intermediates for the production of Pramiconazole and structurally related compounds.

  提供了一种制备式I的2-氧代咪唑啉的方法，包括以下一项或多项步骤：将胺转化为酰化剂，将酰化剂与结构为L-C(R4)(R5)—C(R2)(R3)—NHR1的双功能化合物缩合，其中L是一个离去基团，并闭环生成的脲。通过这种方式，可以制备出一些对于生产Pramiconazole和结构相关化合物有用的2-氧代咪唑啉中间体。
• IMIDAZAOLONE DERIVATIVES,PREPARATION THEREOF AND BIOLOGICAL USE OF SAME
  申请人：Carreaux Francois

  公开号：US20100216855A1

  公开（公告）日：2010-08-26

  Imidazolone derivatives, as medicaments, of formula wherein: R 1 ═H, C 1 to C 5 alkyl, aryl or a 5- or 6-membered heterocyclic group; Ar 1 =optionally substituted aryl or an aromatic heterocycle; R═R 2 —S—, R 3 —HN—, R 4 COHN or Ar 2 , with R 2 =a C 1 -C 5 alkyl, vinyl or vinyl(C 1 -C 5 )alkyl, nitrile or nitrile(C 1 -C 5 )alkyl, aryl or benzyl radical, which are optionally substituted; R 3 =the meanings given above and H; Ar 2 =substituted or unsubstituted aryl.

  咪唑酮衍生物，作为药物，具有以下结构：R1═H，C1到C5烷基，芳基或5-或6-成员杂环基；Ar1=可选择的取代芳基或芳香杂环；R═R2—S—，R3—HN—，R4COHN或Ar2，其中R2=一个C1-C5烷基，乙烯基或乙烯基(C1-C5)烷基，腈基或腈基(C1-C5)烷基，芳基或苄基基团，可以选择取代；R3=如上所述的含义和H；Ar2=取代或未取代的芳基。
• [EN] SMALL MOLECULE INHIBITORS OF FIBROSIS<br/>[FR] INHIBITEURS DE FIBROSE À PETITES MOLÉCULES
  申请人：CALIFORNIA INST BIOMEDICAL RES

  公开号：WO2016094570A1

  公开（公告）日：2016-06-16

  Described herein are compounds and compositions for the treatment of a fibrotic disease.

  本文描述了用于治疗纤维化疾病的化合物和组合物。