optically inactive 5-hydroxy-2-phenyl-hexane | 412320-97-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: optically inactive 5-hydroxy-2-phenyl-hexane
• 英文别名: Opt.-inakt. 5-Hydroxy-2-phenyl-hexan；5-Phenylhexan-2-ol
• CAS: 412320-97-9
• 化学式: C₁₂H₁₈O
• 分子量: 178.274
• InChiKey: MBKWTNPIVDKMOV-UHFFFAOYSA-N

物化性质

• 沸点：
  138 °C(Press: 15 Torr)
• 密度：
  0.957 g/cm3(Temp: 19 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  optically inactive 5-hydroxy-2-phenyl-hexane 在 硫酸 作用下， 生成 1,4-二甲基-1,2,3,4-四氢萘
  参考文献：
  名称：

  Colonge; Pichat, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1948, vol. 226, p. 673

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 乙醇 、 sodium 作用下， 生成 optically inactive 5-hydroxy-2-phenyl-hexane
  参考文献：
  名称：

  Colonge; Pichat, Bulletin de la Societe Chimique de France, 1949, p. 853

  摘要：

  DOI：

文献信息

• [EN] PRO-PERFUME COMPOSITIONS<br/>[FR] COMPOSITIONS DE PROPARFUM
  申请人：FIRMENICH & CIE

  公开号：WO2021123144A1

  公开（公告）日：2021-06-24

  The present invention relates to a perfuming composition comprising at least two properfume compounds selected from the group consisting of a pro-perfume compound releasing a perfume compound upon exposure to light, a pro-perfume compound releasing a perfume compound upon exposure to air/oxygen, a pro-perfume compound releasing a perfume compound upon exposure to heat, a pro-perfume compound releasing a perfume compound upon exposure to moisture and a pro-perfume compound releasing a perfume compound upon exposure to enzymes. The present invention further concerns a perfumed consumer product comprising the inventive perfuming composition, as well as the use of the inventive perfuming composition for improving, enhancing, conferring and/or modifying the fragrance impression and/or fragrance intensity of a consumer product.

  本发明涉及一种香水组合物，包括至少两种从以下组成的适当香气化合物中选择的香气化合物：一种在光照下释放香水化合物的前香水化合物，一种在空气/氧气暴露下释放香水化合物的前香水化合物，一种在热暴露下释放香水化合物的前香水化合物，一种在湿气暴露下释放香水化合物的前香水化合物以及一种在酶暴露下释放香水化合物的前香水化合物。本发明进一步涉及一种含有创新香水组合物的香水消费产品，以及使用创新香水组合物来改善、增强、赋予和/或修改消费产品的香气印象和/或香气强度。
• Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use
  申请人：——

  公开号：US20030212116A1

  公开（公告）日：2003-11-13

  A heterocyclic imino compound of the formula (1) and an agrochemically acceptable salt thereof; and an agricultural chemical, fungicide and insecticide containing at least one member selected from the group of such compounds as an active ingredient: 1 wherein G is 2 or the like, A is a 3- to 13-membered, mono-, di- or tri-cyclic ring which contains at least one hetero atom selected from among oxygen atoms, sulfur atoms and nitrogen atoms, which is composed of from 3 to 13 atoms arbitrarily selected from among carbon atoms, oxygen atoms, sulfur atoms and nitrogen atoms and which may be substituted by from 1 to 13 Ys, provided that when A is a quinolone ring, the nitrogen atom in the quinolone ring is present at the &agr;-position to the imino bond, Z is —OR 1 or the like, B is —CH 2 — or the like, Y is Y′—D—(CH 2 ) p — or the like, D is a single bond or the like, X is halogen or the like, and R 1 is a hydrogen atom, C 1 -C 6 alkyl, C 1 -C 6 haloalkyl or the like.

  一种具有以下化学式（1）的杂环亚胺化合物及其农药可接受的盐；以及至少选择自这类化合物组中的一种作为活性成分的农用化学品、杀菌剂和杀虫剂：其中G为2或类似物，A为3至13个成员的单环、双环或三环环，其中至少包含一种从氧原子、硫原子和氮原子中选择的杂原子，由3至13个从碳原子、氧原子、硫原子和氮原子中任意选择的原子组成，并且可能被1至13个Y取代，前提是当A为喹啉环时，喹啉环中的氮原子位于亚胺键的α-位置，Z为—OR1或类似物，B为—CH2—或类似物，Y为Y′—D—（CH2）p—或类似物，D为单键或类似物，X为卤素或类似物，R1为氢原子、C1-C6烷基、C1-C6卤代烷基或类似物。
• Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities
  申请人：Vision Pharmaceuticals L.P.

  公开号：EP0931786A2

  公开（公告）日：1999-07-28

  The invention provides a compound of the formula wherein X is S, O, NR' where R' is H or alkyl of 1 to 6 carbons, or X is [C(R1)2]n where R1 is independently H or alkyl of 1 to 6 carbons, and n is an integer between 0 and 2; R2 is hydrogen, lower alkyl of 1 to 6 carbons, F, Cl, Br, I, CF3, fluoro substituted alkyl of 1 to 6 carbons, OH, SH, alkoxy of 1 to 6 carbons, or alkylthio of 1 to 6 carbons; R3 is hydrogen, lower alkyl of 1 to 6 carbons or F; m is an integer having the value 0-3; o is an integer having the value 0-3; Y is a phenyl or naphthyl group, or heteroaryl selected from a group consisting of pyridyl, thienyl, furyl, pyridazinyl, pyrimidinyl, pyrazinyl, thiazolyl, oxazolyl, imidazolyl and pyrrazolyl, said phenyl and heteroaryl groups being optionally substituted with one or two R2 groups; A is (CH2)q where q is 0-5, lower branched chain alkyl having 3-6 carbons, cycloalkyl having 3-6 carbons, alkenyl having 2-6 carbons and 1 or 2 double bonds, alkynyl having 2-6 carbons and 1 or 2 triple bonds; B is hydrogen, COOH or a pharmaceutically acceptable salt thereof, COOR8, CONR9R10, -CH2OH, CH2OR11, CH2OCOR11, CHO, CH(OR12)2, CHOR13O, -COR7, CR7(OR12)2, CR7OR13O, or tri-lower alkylsilyl, where R7 is an alkyl, cycloalkyl or alkenyl group containing 1 to 5 carbons, R8 is an alkyl group of 1 to 10 carbons or trimethylsilylalkyl where the alkyl group has 1 to 10 carbons, or a cycloalkyl group of 5 to 10 carbons, or R8 is phenyl or lower alkylphenyl, R9 and R10 independently are hydrogen, an alkyl group of 1 to 10 carbons, or a cycloalkyl group of 5-10 carbons, or phenyl or lower alkylphenyl, R11 is lower alkyl, phenyl or lower alkylphenyl, R12 is lower alkyl, and R13 is divalent alkyl radical of 2-5 carbons, and R14 is (R15)r-phenyl, (R15)r-naphthyl, or (R15)r-heteroaryl where the heteroaryl group has 1 to 3 heteroatoms selected from the group consisting of O, S and N, r is an integer having the values of 0-5, and R15 is independently H, F, Cl, Br, I, NO2, N(R8)2, N(R8)COR8, NR8CON(R8)2, OH, OCOR8, OR8, CN, an alkyl group having 1 to 10 carbons, fluoro substituted alkyl group having 1 to 10 carbons, an alkenyl group having 1 to 10 carbons and 1 to 3 double bonds, alkynyl group having 1 to 10 carbons and 1 to 3 triple bonds, or a trialkylsilyl or trialkylsilyloxy group where the alkyl groups independently have 1 to 6 carbons; R16 is H, lower alkyl of 1 to 6 carbons; R17 is H, lower alkyl of 1 to 6 carbons, OH or OCOR11, and p is zero or 1, with the proviso that when p is 1 then there is no R17 substituent group, and m is an integer between 0 and 2.

  本发明提供了一种式如下的化合物 其中 X 是 S、O、NR'，其中 R' 是 H 或 1 至 6 个碳原子的烷基，或 X 是[C(R1)2]n 其中 R1 独立地是 H 或 1 至 6 个碳原子的烷基，n 是 0 至 2 之间的整数； R2 是氢、1 至 6 个碳原子的低级烷基、F、Cl、Br、I、CF3、1 至 6 个碳原子的氟取代烷基、OH、SH、1 至 6 个碳原子的烷氧基或 1 至 6 个碳原子的硫代烷基； R3 是氢、1-6 个碳的低级烷基或 F； m 是数值为 0-3 的整数； o 是数值为 0-3 的整数； Y 是苯基或萘基，或选自由吡啶基、噻吩基、呋喃基、哒嗪基、嘧啶基、吡嗪基、噻唑基、噁唑基、咪唑基和吡唑基组成的组的杂芳基，所述苯基和杂芳基可任选被一个或两个 R2 基团取代； A 是 (CH2)q，其中 q 是 0-5、具有 3-6 个碳原子的低支链烷基、具有 3-6 个碳原子的环烷基、具有 2-6 个碳原子和 1 或 2 个双键的烯基、具有 2-6 个碳原子和 1 或 2 个三键的炔基； B 是氢、COOH 或其药学上可接受的盐、COOR8、CONR9R10、-CH2OH、CH2OR11、CH2OCOR11、CHO、CH(OR12)2、CHOR13O、-COR7、CR7(OR12)2、CR7OR13O 或三低级烷基硅烷基、其中 R7 是含 1 至 5 个碳原子的烷基、环烷基或烯基，R8 是含 1 至 10 个碳原子的烷基或三甲基硅烷基（其中烷基含 1 至 10 个碳原子）、R9 和 R10 分别是氢、含 1 至 10 个碳原子的烷基、含 5 至 10 个碳原子的环烷基、苯基或低级烷基苯基，R11 是低级烷基、苯基或低级烷基苯基，R12 是低级烷基，R13 是含 2 至 5 个碳原子的二价烷基，以及 R14 是 (R15)r-苯基、(R15)r-萘基或 (R15)r-杂芳基，其中杂芳基具有 1 至 3 个选自 O、S 和 N 所组成的组的杂原子，r 是具有 0-5 值的整数，以及 R15 独立地是 H、F、Cl、Br、I、NO2、N(R8)2、N(R8)COR8、NR8CON(R8)2、OH、OCOR8、OR8、CN、具有 1 至 10 个碳原子的烷基、具有 1 至 10 个碳原子的氟取代烷基、具有 1 至 10 个碳原子和 1 至 3 个双键的烯基、具有 1 至 10 个碳原子和 1 至 3 个三键的炔基、或三烷基硅氧基或三烷基硅氧基（其中烷基独立具有 1 至 6 个碳原子）； R16 是 H、1 至 6 个碳原子的低级烷基； R17 是 H、1 至 6 个碳原子的低级烷基、OH 或 OCOR11，以及 p 为 0 或 1，但当 p 为 1 时，不含 R17 取代基，且 m 为 0 至 2 之间的整数。
• HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE
  申请人：Nissan Chemical Industries, Ltd.

  公开号：EP1243580A1

  公开（公告）日：2002-09-25

  A heterocyclic imino compound of the formula (1) and an agrochemically acceptable salt thereof; and an agricultural chemical, fungicide and insecticide containing at least one member selected from the group of such compounds as an active ingredient: wherein G is or the like, A is a 3- to 13-membered, mono-, di- or tri-cyclic ring which contains at least one hetero atom selected from among oxygen atoms, sulfur atoms and nitrogen atoms, which is composed of from 3 to 13 atoms arbitrarily selected from among carbon atoms, oxygen atoms, sulfur atoms and nitrogen atoms and which may be substituted by from 1 to 13 Ys, provided that when A is a quinolone ring, the nitrogen atom in the quinolone ring is present at the α-position to the imino bond,    Z is -OR1 or the like,    B is -CH2- or the like,    Y is Y'-D-(CH2)p- or the like,    D is a single bond or the like,    X is halogen or the like, and    R1 is a hydrogen atom, C1-C6 alkyl, C1-C6 haloalkyl or the like.

  式（1）的杂环亚氨基化合物及其农用化学品可接受的盐；以及含有至少一种选自此类化合物组的成员作为活性成分的农用化学品、杀真菌剂和杀虫剂： 其中 G 是 或类似物，A 是 3 至 13 个元的单环、二环或三环，其中含有至少一个选自氧原子、硫原子和氮原子的杂原子，它由 3 至 13 个任意选自碳原子、氧原子、硫原子和氮原子的原子组成，可被 1 至 13 个 Y 取代，条件是当 A 是喹啉酮环时，喹啉酮环中的氮原子存在于亚胺键的α位、 Z 是-OR1 或类似物、 B 是-CH2-或类似物、 Y 是 Y'-D-(CH2)p- 或类似物、 D 是单键或类似物、 X 是卤素或类似物，以及 R1 是氢原子、C1-C6 烷基、C1-C6 卤代烷基或类似物。
• PRO-PERFUME COMPOSITIONS
  申请人：Firmenich SA

  公开号：EP4034073A1

  公开（公告）日：2022-08-03