3-甲基-1,1-二丙基脲 | 36614-21-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 中文名称: 3-甲基-1,1-二丙基脲
• 英文名称: 1,1-dipropyl-3-methylurea
• 英文别名: N-methyl dipropylurea；Urea, 1,1-dipropyl-3-methyl-；3-methyl-1,1-dipropylurea
• CAS: 36614-21-8
• 化学式: C₈H₁₈N₂O
• 分子量: 158.244
• InChiKey: ODJCKHUIAVVZBX-UHFFFAOYSA-N

物化性质

• 沸点：
  290.5±9.0 °C(Predicted)
• 密度：
  0.910±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-甲基-1,1-二丙基脲 在 硫酸 、 sodium nitrite 作用下， 以 甲醇 、 水 为溶剂， 以38%的产率得到N-Methyl-N',N'-diisopropyl-N-nitrosourea
  参考文献：
  名称：

  Conformational preferences in alkylnitrosoureas

  摘要：

  DOI：

  10.1021/jo01293a023
• 作为产物：
  描述：

  1,3-二甲基脲 、 二正丙胺 以 异丙苯 为溶剂， 反应 12.0h， 以to provide 41.5 g of 1,1-dipropyl-3-methylurea的产率得到3-甲基-1,1-二丙基脲
  参考文献：
  名称：

  Process for preparing herbicidal ureas and insecticidal carbamates and

  摘要：

  本发明提供了一种制备除草尿素和杀虫卡巴酯及卡巴酯衍生物的方法，包括在惰性有机溶剂中将胺，醇或羟肟亲核试剂与尿素反应。

  公开号：

  US04987233A1

文献信息

• DIARYLMETHYLAMIDE DERIVATIVE HAVING ANTAGONISTIC ACTIVITY ON MELANIN-CONCENTRATING HORMONE RECEPTOR
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：EP2272841A1

  公开（公告）日：2011-01-12

  [Problem] To provide a melanin-concentrating hormone receptor antagonist useful as a pharmaceutical agent for central diseases, circulatory diseases, and metabolic diseases. [Means for Resolution] Provided is a diarylmethylamide derivative represented by formula (I): Wherein R1a, R1b, R2a, R2b, R3a, and R3b independently represent a hydrogen atom or the like, R4 represents a hydrogen atom, C1-6 alkyl, or the like, R5 represents a hydrogen atom or the like, Z represents C1-6 alkyl or the like, or R4 and Z together form a 4- to 6-membered nitrogen-containing hetero ring, Y1 represents H or the like, Y2 represents H, or Y1 and Y2 together form - O-CH2-, W represents C, SO, or the like, Ar1 represents 6-membered aryl or the like, Ar2 represents 6-membered aryl or the like, and ring A represents a benzene ring, a pyridine ring, or the like.

  [问题] 提供一种对黑色素浓缩激素受体拮抗剂，用作中枢疾病、循环疾病和代谢疾病的药用制剂。 [解决方法] 提供一种由式(I)表示的二芳基甲酰胺衍生物： 其中R1a、R1b、R2a、R2b、R3a和R3b独立地表示氢原子或类似物，R4表示氢原子、C1-6烷基或类似物，R5表示氢原子或类似物，Z表示C1-6烷基或类似物，或者R4和Z一起形成一个含氮杂环的4-至6-成员环，Y1表示H或类似物，Y2表示H，或者Y1和Y2一起形成-O-CH2-，W表示C、SO或类似物，Ar1表示6-成员芳基或类似物，Ar2表示6-成员芳基或类似物，环A表示苯环、吡啶环或类似物。
• The Steric Effects of Alkyl Groups on the N–H Stretching Vibrations and the Rotational Isomerism of Alkylureas
  作者：Yoshiyuki Mido、Tamotsu Gohda

  DOI：10.1246/bcsj.48.2704

  日期：1975.10

  of the trans N–H band. It was also observed that the larger the effective size of the R′ group on R2UR′ is, the stronger the intensity of the additional band becomes. It was concluded, in connection with the rotational isomerism of dialkylureas, that the additional band arises from a form in which the N–H group is out of the skeletal plane.

  研究了各种三烷基脲 R2UR' 在稀溶液中的自由 N-H 伸缩振动，以解决我们关于二烷基脲旋转异构的问题。在 R2UR' 的红外光谱中，其中 R 是异丙基或环己基，在反式 N-H 带的高频侧出现了一个额外的 N-H 带。还观察到R2UR'上R'基团的有效尺寸越大，附加带的强度变得越强。与二烷基脲的旋转异构相关的结论是，附加带是由 N-H 基团在骨架平面之外的形式产生的。
• DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR
  申请人：Ando Makoto

  公开号：US20100324049A1

  公开（公告）日：2010-12-23

  [Problems] To provide an antagonist of a melanin-concentrating hormone receptor, which is useful as a medicine for a central nervous system disease, a cardiovascular disease or a metabolic disease. [Means for Solving Problems] The antagonist comprises, as an active ingredient, a compound represented by the formula (I) wherein R 1a and R 1b independently represent a hydrogen atom or a C 1-6 alkyl group; R 2a , R 2b , R 3a and R 3b independently represent a hydrogen atom, a C 1-6 alkyl group, or the like; Y represents H or —OH; Z represents —OR 8 , or the like; R 8 represents a hydrogen atom, a C 1-6 alkyl group which may have a substituent, or the like; R 9a and R 9b independently represent a hydrogen atom, a C 1-6 alkyl group, or the like; Ar 1 represents an aromatic carbon ring group, or an aromatic heteroring group; Ar 2 represents a group produced by removing two hydrogen atoms from an aromatic carbon ring, or the like; and the ring group A represents an unsaturated heteroring group.

  [问题] 提供一种黑素浓集激素受体的拮抗剂，该拮抗剂作为治疗中枢神经系统疾病、心血管疾病或代谢疾病的药物是有用的。 [解决问题的手段] 该拮抗剂包含作为活性成分的以下公式（I）所示的化合物： 其中 R1a 和 R1b 分别独立代表一个氢原子或一个C1-6烷基团；R2a、R2b、R3a 和 R3b 分别独立代表一个氢原子、一个C1-6烷基团或类似物；Y代表H或—OH；Z代表—OR8，或类似物；R8代表一个氢原子、一个可能含有取代基的C1-6烷基团或类似物；R9a和R9b分别独立代表一个氢原子、一个C1-6烷基团或类似物；Ar1代表一个芳香碳环族或芳香杂环族；Ar2代表通过从一个芳香碳环中移除两个氢原子而得到的族或类似物；而环族A代表一个不饱和杂环族。
• Bicyclic aromatic substituted pyridone derivative
  申请人：Sakuraba Shunji

  公开号：US20090264426A1

  公开（公告）日：2009-10-22

  Disclosed is a compound represented by the formula (I): Wherein R 1 and R 2 independently represent a hydrogen atom, a lower alkyl group or the like; X 1 , X 2 and X 3 independently represent a methine group or a nitrogen atom; Y 1 and Y 3 independently represent a single bond, —O— or the like; Y 2 represents a lower alkylene group or the like; W1 to W4 independently represent a single bond, a methylene group or the like; L represents a single bond, a methylene group or the like; Z 1 and Z 2 independently represent a single bond, a C 1-4 alkylene group or the like; Ar 1 represents an aromatic carbocyclic ring or the like; and Ar 2 represents a bicyclic aromatic carbocyclic ring or the like. The compound is useful as a pharmaceutical for a central disease, a cardiovascular disease or a metabolic disease.

  本发明揭示了一种化合物，其化学式为（I）：其中R1和R2分别代表氢原子、低碳烷基或类似物；X1、X2和X3分别代表亚甲基基团或氮原子；Y1和Y3分别代表单键、—O—或类似物；Y2代表低碳烷基基团或类似物；W1至W4独立地代表单键、亚甲基基团或类似物；L代表单键、亚甲基基团或类似物；Z1和Z2独立地代表单键、C1-4烷基基团或类似物；Ar1代表芳香环烷基环或类似物；Ar2代表双环芳香环烷基环或类似物。该化合物可用作治疗中枢疾病、心血管疾病或代谢性疾病的药物。
• ARYL INDOLE DERIVATIVES
  申请人：Kishino Hiroyuki

  公开号：US20120022078A1

  公开（公告）日：2012-01-26

  A novel aryl indole derivative is provided that is effective as a preventive or remedy for various diseases. A compound represented by a formula (I) or a pharmaceutically acceptable salt thereof: (I) wherein R 1 is a hydrogen atom, halogen, C 1-6 alkyl, haloC 1-6 alkyl, C 1-6 alkyloxy, or haloC 1-6 alkyloxy; R 2 represents C 1-6 alkyl or haloC 1-6 alkyl; R 3 represents a hydrogen atom, C 1-6 alkyl, or haloC 1-6 alkyl; and Ar represents an aryl or heteroaryl, wherein the aryl or the heteroaryl may be substituted with 1 to 3 substituents such as halogen, C 1-6 alkyl, haloC 1-6 alkyl, and C 1-6 alkyloxy.

  提供了一种新颖的芳基吲哚衍生物，可作为预防或治疗各种疾病的有效药物。代表为化学式（I）或其药用可接受盐的化合物：（I）其中R1为氢原子、卤素、C1-6烷基、卤代C1-6烷基、C1-6烷氧基或卤代C1-6烷氧基；R2代表C1-6烷基或卤代C1-6烷基；R3代表氢原子、C1-6烷基或卤代C1-6烷基；Ar代表芳基或杂环芳基，其中芳基或杂环芳基可被1至3个取代基（如卤素、C1-6烷基、卤代C1-6烷基和C1-6烷氧基）取代。