3,3,5-trimethylcyclohexanone oxime | 37694-11-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3,3,5-trimethylcyclohexanone oxime
• 英文别名: 3,3,5-trimethyl-cyclohexanone oxime；3,3,5-Trimethyl-cyclohexanon-oxim；1.1.3-Trimethyl-cyclohexanoxim-(5)；3,3,5-Trimethylcyclohexanon-oxim；N-(3,3,5-trimethylcyclohexylidene)hydroxylamine
• CAS: 37694-11-4
• 化学式: C₉H₁₇NO
• mdl: MFCD17257245
• 分子量: 155.24
• InChiKey: SBIKADHZIPDOHC-UHFFFAOYSA-N

物化性质

• 熔点：
  84-85 °C
• 沸点：
  231.4±9.0 °C(Predicted)
• 密度：
  1.01±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  32.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,3,5-trimethylcyclohexanone oxime 在 sodium hydride 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 72.0h， 生成 1-(Tert-butylamino)-3-[(3,3,5-trimethylcyclohexylidene)amino]oxypropan-2-ol
  参考文献：
  名称：

  新型脂族和脂环族肟醚的合成和β-肾上腺素的阻断活性。

  摘要：

  我们描述了两个新系列的脂肪族和脂环族β-肾上腺素能阻滞剂的合成和药理性质，其中大多数含有环丙基环。它们属于2-羟基-3-（叔丁基氨基）丙基醚A或2-羟基-3-叔-（丁基氨基）丙基酮肟醚B衍生物。O- [2-羟基-3-（叔丁基氨基）丙基]二环丙基酮肟5表现出与普萘洛尔相当的β-肾上腺素能拮抗剂活性。发现酮肟醚B通常显示出比相应的醚A更高的效力。我们证实，芳香核的存在对于β-肾上腺素活性不是至关重要的。讨论了这些系列之间的构效关系。

  DOI：

  10.1021/jm00376a011
• 作为产物：
  描述：

  3,3,5-三甲基环己酮 生成 3,3,5-trimethylcyclohexanone oxime
  参考文献：
  名称：

  Amino trimethyl hexanoic acids and their lactams

  摘要：

  公开号：

  US02462008A1

文献信息

• [EN] IMINOXYTRIAZINES AS RADICAL GENERATORS<br/>[FR] IMINOXYTRIAZINES À TITRE DE GÉNÉRATEURS DE RADICAUX
  申请人：BASF SE

  公开号：WO2014064064A1

  公开（公告）日：2014-05-01

  Iminoxytriazine compounds of the formula (I), wherein n is 1 or 2; R1 and R2 independently of each other are hydrogen, NH2, NHR5, NR5R6, COR5, COOR5, CONH2, CONHR5, CONR5R6, CN, SR5, OR5, C1-C18 alkyl, C3 -C12cycloalkyl, C6-C14 aryl or C2 -C14 heteroaryl, wherein said C3-C12cycloalkyl, C6-C14aryl or C2-C14heteroaryl is unsubstituted or substituted by one or more radicals selected from the group consisting of C1-C12alkyl, C3-C12-cycloalkyl, phenyl, halogen and C1-C12alkoxy, or R1 and R2 together with the C atom to which they are linked form a 4 to 12 membered carbocyclic or heterocyclic saturated or unsaturated ring which is unsubstituted or substituted by one or more radicals selected from the group consisting of C1-C12alkyl, C3-C12-cycloalkyl, phenyl, halogen and C1-C12 alkoxy; R3 is F, Cl, OH, OR, SH, SR5, NH2, NHR5, NR5R6 or R1R2C=N-O-; wherein R1 and R2 in all groups R1R2C=N-O- in the compound of the formula I are identical or different; if n is 1, R4 is F, Cl, OH, OR5, SH, SR5, NH2, NHR5, NR5R6 or R1R2C=N-O-; wherein R1 and R2 in all groups R1R2C=N-O- in the compound of the formula I are identical or different; if n is 2, R4 is a difunctional group derived from a diol, diamine, aminoalcohol or mercaptoalcohol; R5 and R6 independently of each other are C1-C18alkyl, C3-C12cycloalkyl, C6-C14aryl or C2-C14 heteroaryl; are suitable as radical generating agents.

  Iminoxytriazine化合物的结构式（I），其中n为1或2；R1和R2彼此独立地为氢、NH2、NHR5、NR5R6、COR5、COOR5、CONH2、CONHR5、CONR5R6、CN、SR5、OR5、C1-C18烷基、C3-C12环烷基、C6-C14芳基或C2-C14杂芳基，其中所述的C3-C12环烷基、C6-C14芳基或C2-C14杂芳基未取代或通过来自C1-C12烷基、C3-C12环烷基、苯基、卤素和C1-C12烷氧基的一个或多个基团取代，或者R1和R2与它们连接的C原子一起形成未取代或通过来自C1-C12烷基、C3-C12环烷基、苯基、卤素和C1-C12烷氧基的一个或多个基团取代的4到12元碳环或杂环饱和或不饱和环，R3为F、Cl、OH、OR、SH、SR5、NH2、NHR5、NR5R6或R1R2C=N-O-；其中在结构式I的化合物中所有R1R2C=N-O-中的R1和R2相同或不同；如果n为1，R4为F、Cl、OH、OR5、SH、SR5、NH2、NHR5、NR5R6或R1R2C=N-O-；其中在结构式I的化合物中所有R1R2C=N-O-中的R1和R2相同或不同；如果n为2，R4为源自二醇、双胺、氨基醇或巯基醇的双官能团；R5和R6彼此独立地为C1-C18烷基、C3-C12环烷基、C6-C14芳基或C2-C14杂芳基；适用作基团生成剂。
• Tuberculosis treatment using pleuromutilin derivatives
  申请人：Ascher Gerd

  公开号：US20070270404A1

  公开（公告）日：2007-11-22

  A method of preventing or treating diseases caused by Mycobacterium , comprising administering to a subject in need of such treatment an effective amount of a pleuromutilin.

  一种预防或治疗由分枝杆菌引起的疾病的方法，包括向需要此类治疗的受试者施用足够量的苯丙醇霉素。
• IMINOXYTRIAZINES AS RADICAL GENERATORS
  申请人：BASF SE

  公开号：US20150284604A1

  公开（公告）日：2015-10-08

  Iminoxytriazine compounds of the formula I wherein n is 1 or 2; R 1 and R 2 independently of each other are hydrogen, NH 2 , NHR 5 , NR 5 R 6 , COR 5 , COOR 5 , CONH 2 , CONHR 5 , CONR 5 R 6 , CN, SR 5 , OR 5 , C 1 -C 18 alkyl, C 3 -C 12 cycloalkyl, C 6 -C 14 aryl or C 2 -C 14 heteroaryl, wherein said C 3 -C 12 cycloalkyl, C 6 -C 14 aryl or C 2 -C 14 heteroaryl is unsubstituted or substituted by one or more radicals selected from the group consisting of C 1 -C 12 alkyl, C 3 -C 12 -cycloalkyl, phenyl, halogen and C 1 -C 12 alkoxy, or R 1 and R 2 together with the C atom to which they are linked form a 4 to 12 membered carbocyclic or heterocyclic saturated or unsaturated ring which is unsubstituted or substituted by one or more radicals selected from the group consisting of C 1 -C 12 alkyl, C 3 -C 12 -cycloalkyl, phenyl, halogen and C 1 -C 12 alkoxy; R 3 is F, Cl, OH, OR 5 , SH, SR 5 , NH 2 , NHR 5 , NR 5 R 6 or R 1 R 2 C═N—O—; wherein R 1 and R 2 in all groups R 1 R 2 C═N—O— in the compound of the formula I are identical or different; if n is 1, R 4 is F, Cl, OH, OR 5 , SH, SR 5 , NH 2 , NHR 5 , NR 5 R 6 or R 1 R 2 C═N—O—; wherein R 1 and R 2 in all groups R 1 R 2 C═N—O— in the compound of the formula I are identical or different; if n is 2, R 4 is a difunctional group derived from a diol, diamine, aminoalcohol or mercaptoalcohol; R 5 and R 6 independently of each other are C 1 -C 18 alkyl, C 3 -C 12 cycloalkyl, C 6 -C 14 aryl or C 2 -C 14 heteroaryl; are suitable as radical generating agents.

  公式I中的亚硝基三嗪化合物，其中n为1或2；R1和R2独立地为氢、NH2、NHR5、NR5R6、COR5、COOR5、CONH2、CONHR5、CONR5R6、CN、SR5、OR5、C1-C18烷基、C3-C12环烷基、C6-C14芳基或C2-C14杂芳基，其中所述的C3-C12环烷基、C6-C14芳基或C2-C14杂芳基未取代或取代为来自C1-C12烷基、C3-C12环烷基、苯基、卤素和C1-C12烷氧基的一个或多个基团；或者R1和R2与它们连接的C原子一起形成一个4到12个成员的碳环或杂环，该碳环或杂环未取代或取代为来自C1-C12烷基、C3-C12环烷基、苯基、卤素和C1-C12烷氧基的一个或多个基团；R3为F、Cl、OH、OR5、SH、SR5、NH2、NHR5、NR5R6或R1R2C═N—O—；其中在公式I中的所有R1R2C═N—O—基团中，R1和R2相同或不同；如果n为1，则R4为F、Cl、OH、OR5、SH、SR5、NH2、NHR5、NR5R6或R1R2C═N—O—；其中在公式I中的所有R1R2C═N—O—基团中，R1和R2相同或不同；如果n为2，则R4为来自二元醇、二胺、氨基醇或巯基醇的二官能团；R5和R6独立地为C1-C18烷基、C3-C12环烷基、C6-C14芳基或C2-C14杂芳基；适用于产生基团的生成剂。
• TUBERCULOSIS TREATMENT USING PLEUROMUTILIN DERIVATIVES
  申请人：Nabriva Therapeutics Forschungs GmbH

  公开号：EP1875903A1

  公开（公告）日：2008-01-09

  A method of preventing or treating diseases caused by Mycobacterium, comprising administering to a subject in need of such treatment an effective amount of a pleuromutilin.

  一种预防或治疗由分枝杆菌引起的疾病的方法，包括向需要治疗的受试者施用有效量的胸腺嘧啶。
• Curable photochromic composition including a segmented polymer
  申请人：Transitions Optical, Ltd.

  公开号：US11525027B2

  公开（公告）日：2022-12-13

  The present invention relates to a curable photochromic composition that includes: (a) a photochromic compound; and (b) a segmented polymer that includes active hydrogen groups, at least one first segment, and at least one second segment, in which, (i) each first segment independently includes a (meth)acrylic polymer segment, and (ii) each second segment independently includes at least one of, a polycarbonate segment, a polyester segment, a polyether segment, a polyurethane segment, and combinations of two or more thereof. The curable photochromic composition further includes (c) a curing agent having reactive functional groups that are reactive with the active hydrogen groups of the segmented polymer (a), in which the curing agent includes at least one of, a polyisocyanate, a polyisothiocyanate, and an aminoplast. The present invention also relates to photochromic articles that include at least one layer formed from the curable photochromic composition of the present invention.

  本发明涉及一种可固化的光致变色组合物，该组合物包括(a) 光致变色化合物；和 (b) 包括活性氢基、至少一个第一段和至少一个第二段的分段聚合物，其中，(i) 每个第一段独立地包括（甲基）丙烯酸聚合物段，和 (ii) 每个第二段独立地包括聚碳酸酯段、聚酯段、聚醚段、聚氨酯段中的至少一种，以及其中两种或两种以上的组合。可固化的光致变色组合物还包括(c)具有与分段聚合物(a)的活性氢基反应的活性官能团的固化剂，其中固化剂包括多异氰酸酯、多异硫氰酸盐和氨基树脂中的至少一种。本发明还涉及光致变色物品，该物品包括至少一层由本发明的可固化光致变色组合物形成的层。