4,5-dimethyl-hexan-1-ol | 60564-76-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4,5-dimethyl-hexan-1-ol
• 英文别名: 4,5-Dimethylhexan-1-ol
• CAS: 60564-76-3
• 化学式: C₈H₁₈O
• 分子量: 130.23
• InChiKey: QABJATQYUASJEM-UHFFFAOYSA-N

物化性质

• 沸点：
  171.3±8.0 °C(Predicted)
• 密度：
  0.819±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-(3-氯丙氧基)四氢-2H-吡喃 、 2,3-dimethylbutanenitrile 生成 4,5-dimethyl-hexan-1-ol
  参考文献：
  名称：

  Activation by a Cyano Group: II¹; A New Synthesis of Substituted Primary Alcohols

  摘要：

  DOI：

  10.1055/s-1976-24052

文献信息

• OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME
  申请人：SHIOZAKI Hiroyoshi

  公开号：US20090306376A1

  公开（公告）日：2009-12-10

  A compound comprising a ring structure including a ring composed of four carbon atoms and two nitrogen atoms and a substituted or unsubstituted amino group bonded to the ring structure.

  一种化合物，包括一个环结构，其中包括由四个碳原子和两个氮原子组成的环，以及与环结构相结合的取代或未取代的氨基团。
• METHOD FOR PRODUCING CARBOXYLIC ACID ESTERS AND THE USE THEREOF AS PLASTICIZERS
  申请人：BASF SE

  公开号：US20160264509A1

  公开（公告）日：2016-09-15

  The present invention relates to a process for the production of carboxylic esters by reaction of carboxylic acids and/or carboxylic anhydrides with at least one alcohol selected from alkanols having at least 5 carbon atoms, cycloalkanols, and alkoxy-alkanols, in the presence of an acidic esterification catalyst. The invention further relates to the use of the resultant carboxylic esters as plasticizers or in a plasticizer composition for thermoplastic polymers and elastomers.

  本发明涉及一种通过将羧酸和/或酸酐与至少一种来自至少有5个碳原子的脂肪醇、环脂醇和烷氧基脂肪醇中选择的醇在酸性酯化催化剂存在下反应制备羧酸酯的方法。该发明还涉及将所得的羧酸酯用作塑化剂或在热塑性聚合物和弹性体的塑化剂组合物中的用途。
• COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME
  申请人：Komatsuki Yasuhiro

  公开号：US20110081393A1

  公开（公告）日：2011-04-07

  Disclosed is a cooling sensation agent composition or sensory stimulation agent composition which contains at least one of diester compounds of dicarboxylic acid represented by the formula (1) wherein A represents CH 2 or CH═CH, n represents an integer of 0 to 4 when A is CH 2 , or 1 when A is CH═CH, B is an alcohol residue having 10 to 18 carbon atoms and containing a para-menthane skeleton, which may have a substituent, and C is an alcohol residue having 6 to 18 carbon atoms, which may have a substituent as well as a flavor or fragrance composition, a beverage, a food product, a perfume or cosmetic product, a toiletry product, daily utensil products or groceries, a fiber, a fiber product, clothes, clothing or a medicine, wherein the cooling sensation agent composition or the sensory stimulation agent composition is compounded.

  本文披露了一种包含以下化学式（1）所代表的二羧酸双酯化合物之一的冷却感剂组合物或感官刺激剂组合物，其中A代表CH2或CH═CH，n代表整数0至4（当A为CH2时）或1（当A为CH═CH时），B是含有10至18个碳原子并含有对蒎烷骨架的醇残基，可能有取代基，C是含有6至18个碳原子的醇残基，可能也有取代基，以及香料或香精组合物、饮料、食品产品、香水或化妆品产品、洗涤用品、日用品或杂货、纤维、纤维制品、衣服、服装或药品，其中复合了冷却感剂组合物或感官刺激剂组合物。
• FULLERENE DERIVATIVE AND n-TYPE SEMICONDUCTOR MATERIAL
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20180282274A1

  公开（公告）日：2018-10-04

  An object of the present invention is to provide a novel fullerene derivative usable in n-type semiconductor materials for organic thin-film solar cells and the like. The object is achieved by a fullerene derivative represented by formula (1) wherein R 1 represents aryl optionally substituted with at least one substituent, R 2 represents an organic group, R 3 represents an organic group, with the proviso that at least one of R 2 and R 3 is alkyl optionally substituted with at least one substituent or alkyl ether optionally substituted with at least one substituent, R 4 represents hydrogen or an organic group, and a ring A represents a fullerene ring.

  本发明的目的是提供一种新型富勒烯衍生物，可用于有机薄膜太阳能电池等n型半导体材料。该目的通过由式（1）表示的富勒烯衍生物实现，其中R1代表芳基，可选择地取代至少一个取代基，R2代表有机基团，R3代表有机基团，但至少R2和R3中的一个是烷基，可选择地取代至少一个取代基或烷基醚，可选择地取代至少一个取代基，R4代表氢或有机基团，环A代表一个富勒烯环。
• Method for Producing Difluoromethyl-Substituted Pyrazole Compounds
  申请人：Nett Markus

  公开号：US20100184994A1

  公开（公告）日：2010-07-22

  The present invention relates to a process for preparing 3-difluoromethyl-substituted pyrazole compounds of the formula (I) in which R 1 is H, halogen, nitro, C 1 -C 8 -alkyl, C 1 -C 8 -haloalkyl, C 3 -C 8 -cycloalkyl, phenyl, naphthyl, hetaryl, cyano, —C(═O)—OR 1a , —C(═O)—NR 1b R 1c , —C(═O)—SR 1d or —C(═S)—SR 1e ; R 2 is H, C 1 -C 4 -alkyl, benzyl or phenyl; R 3 is H, halogen, C 1 -C 8 -alkoxy, C 1 -C 8 -haloalkoxy, C 3 -C 8 -cycloalkoxy, C 2 -C 8 -alkenyloxy, C 1 -C 8 -alkylthio, C 1 -C 8 -haloalkylthio, C 3 -C 8 -cyclo-alkylthio or C 2 -C 8 -alkenylthio; compounds of the formula (II.a) or (II.b), in which R 1 and R 3 each have one of the definitions given above; R 4 is halogen, —OR 4a , —SR 4a , —O—SO 2 —R 4a or an —NR 4b R 4c group; R 5 and R 6 are each C 1 -C 8 -alkyl, C 1 -C 8 -haloalkyl, C 3 -C 8 -cycloalkyl, benzyl or phenyl, or, together with the nitrogen atom to which they are bonded, are a 3- to 8-membered heterocycle; Lewis acid adducts of compounds of the formula (II.b); the use of compounds of the formula (II.a) or (II.b) and of the Lewis acid adducts for preparing compounds of the formula (I) or (VI); and to a process for converting such compounds to the corresponding 3-difluoro-pyrazol-4-ylcarboxylic acids.

  本发明涉及一种制备3-二氟甲基取代吡唑化合物的方法，其化学式为（I），其中R1为H、卤素、硝基、C1-C8烷基、C1-C8卤代烷基、C3-C8环烷基、苯基、萘基、杂环基、氰基、—C(═O)—OR1a、—C(═O)—NR1bR1c、—C(═O)—SR1d或—C(═S)—SR1e；R2为H、C1-C4烷基、苄基或苯基；R3为H、卤素、C1-C8烷氧基、C1-C8卤代烷氧基、C3-C8环烷氧基、C2-C8烯氧基、C1-C8烷硫基、C1-C8卤代烷硫基、C3-C8环烷硫基或C2-C8烯硫基；化合物的化学式为（II.a）或（II.b），其中R1和R3分别具有上述定义；R4为卤素、—OR4a、—SR4a、—O—SO2—R4a或—NR4bR4c基团；R5和R6分别为C1-C8烷基、C1-C8卤代烷基、C3-C8环烷基、苄基或苯基，或与它们连接的氮原子一起形成3-至8-成员的杂环；化合物的路易斯酸加合物的使用，化合物的化学式为（II.b）；化合物的化学式为（II.a）或（II.b）和路易斯酸加合物的使用，用于制备化合物的化学式为（I）或（VI）；以及将这些化合物转化为相应的3-二氟吡唑-4-羧酸的方法。