2,2-dimethylcyclopentanecarboxaldehyde | 70030-18-1

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机氧化物
• 英文名称: 2,2-dimethylcyclopentanecarboxaldehyde
• 英文别名: 2,2-Dimethylcyclopentane-1-carbaldehyde
• CAS: 70030-18-1
• 化学式: C₈H₁₄O
• 分子量: 126.199
• InChiKey: OFIMQRAIALKYKY-UHFFFAOYSA-N

物化性质

• 沸点：
  156.2±9.0 °C(Predicted)
• 密度：
  0.943±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,2-dimethylcyclopentanecarboxaldehyde 在 platinum(IV) oxide 吡啶 、 盐酸 、 titanium(III) chloride 、 盐酸羟胺 、 ammonium acetate 、 氢气 、 sodium methylate 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 水 、 甲苯 、 乙腈 为溶剂， 25.0~75.0 ℃ 、206.84 kPa 条件下， 反应 36.08h， 生成 2',3',5',6',7',7a'-hexahydro-2,2-dimethylspiropyrrolizine>-7'-oxime
  参考文献：
  名称：

  Synthesis of pyrrolizidine oximes 222 and 236: Novel alkaloids of a dendrobatid poison frog

  摘要：

  DOI：

  10.1016/s0040-4020(01)80634-7
• 作为产物：
  描述：

  2,2-二甲基环戊酮 、 异腈甲基磷酸二乙酯 在 盐酸 、 正丁基锂 作用下， 生成 2,2-dimethylcyclopentanecarboxaldehyde
  参考文献：
  名称：

  Synthesis of pyrrolizidine oximes 222 and 236: Novel alkaloids of a dendrobatid poison frog

  摘要：

  DOI：

  10.1016/s0040-4020(01)80634-7

文献信息

• Novel amide derivatives
  申请人：——

  公开号：US20040204369A1

  公开（公告）日：2004-10-14

  This invention relates to compounds which are represented by the general formula [I] 1 [in which A stands for a group of the following formula [a o ] or [b o ] 2 Ar 1 , Ar 2 and Ar 3 stand for optionally substituted phenyl; k stands for 0 or 1; m, n and s stand for 0, 1 or 2; R 1 stands for hydrogen or optionally substituted lower alkyl; R 2 , R 3 , R 4 and R 5 either stand for hydrogen or optionally substituted lower alkyl, or R 2 and R 3 , or R 4 and R 5 together stand for trimethylene and the like; R 60 stands for hydrogen, alkyl, or the like; R 61 and R 71 either stand for alkyl and the like, or together stand for trimethylene and the like; X stands for carbonyl or methylene; Y stands for nitrogen or methine; and Q − stands for anion], and the like. The compounds of the invention exhibit selective antagonism to muscarinic M 3 receptors, and therefore are useful as safe and effective agents showing little side effect, for treating diseases of the respiratory, urinary and digestive systems.

  本发明涉及由一般公式[I]1表示的化合物，其中A代表以下式[ao]或[bo]2Ar1的基团，Ar2和Ar3代表可选取代的苯基；k代表0或1；m、n和s代表0、1或2；R1代表氢或可选取代的低碳基；R2、R3、R4和R5要么代表氢或可选取代的低碳基，要么R2和R3，或者R4和R5一起代表三亚甲基等；R60代表氢、烷基或类似物；R61和R71要么代表烷基等，要么一起代表三亚甲基等；X代表羰基或亚甲基；Y代表氮或亚甲基；Q^-代表阴离子等。本发明的化合物表现出选择性的M3胆碱能受体拮抗作用，因此可用作治疗呼吸、泌尿和消化系统疾病的安全有效药物，副作用小。
• NOVEL AMIDE DERIVATIVES
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP1213281B1

  公开（公告）日：2004-02-18
• Titanium tetrachloride catalysis of aza-claisen rearrangements
  作者：Richard K. Hill、Hiralal N. Khatri

  DOI：10.1016/s0040-4039(01)95218-9

  日期：1978.1
• Enantioselective synthesis of polyzonimine and nitropolyzonamine, spirocyclic compounds from the defensive glands of a millipede, Polyzonium rosalbum
  作者：Kenji Mori、Yasuyo Takagi

  DOI：10.1016/s0040-4039(00)01133-3

  日期：2000.8

  Asymmetric Michael addition of the enamine derived from 2,2-dimethylcyclopentanecarboxaldehyde and (S)-prolinol methyl ether to nitroethylene afforded the adduct of 76% ee, which finally yielded enantiomerically pure (+)-polyzonimine and (+)-nitropolyzonamine, compounds from the defensive glands of a millipede, Polyzonium rosalbum. The absolute configuration of (+)-polyzonimine was determined as S, (C) 2000 Elsevier Science Ltd. All rights reserved.
• COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION
  申请人：Ishida Kenya

  公开号：US20110117147A1

  公开（公告）日：2011-05-19

  The invention relates to a cooling sensation agent composition with a prolonged cool sensation effect comprising at least one compound selected from Formula (1) wherein each of A and B is a hydrogen atom or a hydrocarbon group which may have one or more substituents, in which A and B are not hydrogen atoms simultaneously, and the total number of carbon atoms in A and B is in the range of 6 to 18; and Formulae (2) to (4) wherein R1, R2, and R3 each represent a residue of an alcohol selected from 1-menthol, 1-isopulegol, 3-(1-menthoxy)propan-1,2-diol, 2-(1-menthoxy)ethan-1-ol, 3-(1-menthoxy)propan-1-ol, 2-methyl-3-(1-menthoxy)propan-1,2-diol and para-menthan-3,8-diol), and R4 represents a residue of a branched or straight-chain, cyclic or linear, or saturated or unsaturated alcohol having 6 to 18 carbon atoms that may have one or more aromatic rings that may have a condensed ring and substituent groups such as hydroxyl and ether groups; and R6 represents a hydrocarbon group having 11 to 19 carbon atoms that may be branched and contain one or more unsaturated bonds. The invention also relates to a sensory stimulation agent composition comprising the cooling sensation agent composition; a flavor or fragrance composition, a beverage or food product, a perfume or cosmetic product, a toiletry product, a daily utensil product or grocery, a fiber, a fiber product, a cloth or a medicine comprising the cooling sensation agent composition or the sensory stimulation agent composition; a production method thereof; a cooling processing method of a fiber, fiber product or a cloth, comprising compounding the cooling sensation agent composition or the sensory stimulation agent composition; and new compounds.