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癸烷-1,3-二醇 | 6071-27-8

中文名称
癸烷-1,3-二醇
中文别名
——
英文名称
1,3-decanediol
英文别名
decan-1,3-diol;decane-1,3-diol
癸烷-1,3-二醇化学式
CAS
6071-27-8
化学式
C10H22O2
mdl
——
分子量
174.283
InChiKey
ANWMPOLHSRXCNH-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    47.36°C (estimate)
  • 沸点:
    263.09°C (rough estimate)
  • 密度:
    0.9418 (rough estimate)

计算性质

  • 辛醇/水分配系数(LogP):
    2.7
  • 重原子数:
    12
  • 可旋转键数:
    8
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    1.0
  • 拓扑面积:
    40.5
  • 氢给体数:
    2
  • 氢受体数:
    2

SDS

SDS:16f427042d8af5c1eccf50723e7a7b93
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上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    癸烷-1,3-二醇1-[4-((E)-7-Ethoxy-3,7-dimethyl-oct-2-enyloxy)-phenyl]-propan-1-one对甲苯磺酸 作用下, 反应 1.0h, 以37%的产率得到2-[4-((E)-7-Ethoxy-3,7-dimethyl-oct-2-enyloxy)-phenyl]-2-ethyl-4-heptyl-[1,3]dioxane
    参考文献:
    名称:
    Terpenoid derivatives of 4-hydroxypropiophenone as juvenoids and juvenogens. II
    摘要:
    一系列潜在的幼虫激素和幼虫生成素通过修改4-(3,7-二甲基-2,6-辛二烯氧基)丙苯酮和4-(3,7-二甲基-2-辛二烯氧基)丙苯酮的结构而制备。
    DOI:
    10.1135/cccc19811614
  • 作为产物:
    描述:
    1-乙酰氧基-3-癸酮sodium hydroxide 、 sodium tetrahydroborate 作用下, 生成 癸烷-1,3-二醇
    参考文献:
    名称:
    Synthesis of higher 1,3-diols from ethylene and carboxylic acid chlorides
    摘要:
    DOI:
    10.1007/bf00949746
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文献信息

  • Extracts of Isochrysis sp.
    申请人:Herrmann Martina
    公开号:US20100080761A1
    公开(公告)日:2010-04-01
    The present invention relates to extracts of Isochrysis sp., preferably Tahitian Isochrysis, its cosmetic, dermatological and/or therapeutic uses and compositions and cosmetic, dermatological or therapeutic products comprising such an extract of Isochrysis sp., preferably Tahitian Isochrysis.
    本发明涉及Isochrysissp.的提取物,优选为塔希提Isochrysis,及其在化妆品、皮肤病学和/或治疗学上的用途以及包含该Isochrysissp.提取物的化妆品、皮肤病学或治疗学产品,优选为塔希提Isochrysis。
  • [EN] ISOINDOLINE DERIVATIVES COMPRISING AN ADDITIONAL HETEROCYCLIC GROUP AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS<br/>[FR] DÉRIVÉS ISOINDOLINE COMPRENANT UN GROUPE HÉTÉROCYCLIQUE SUPPLÉMENTAIRE ET LEUR UTILISATION DANS LE TRAITEMENT DE TROUBLES DE LA DOULEUR
    申请人:ASTRAZENECA AB
    公开号:WO2009145718A1
    公开(公告)日:2009-12-03
    Compounds of formula I are claimed, wherein R1is hydrogen, C1_3alkyl, C1_3alkoxy, cyano, hydroxy or halo; wherein C1-3alkyl may optionally be substituted by one or more substituents independently selected from hydroxy, C1-3alkoxy orfluoro; and wherein Ci^alkoxy may optionally be substituted by one or more fluoro; m is 1 or 2; R2 and R3 is each and independently selected from hydrogen, Ci_4haloalkyl, C1_4haloalkoxy, halo, C1_4alkoxy, C1_4alkyl and C3_7cycloalkyloxy; and wherein said C3_7cycloalkyloxy may optionally be substituted by one or more fluoro; and whereas both R2 and R3 can not be hydrogen; Het is selected from any one of pyridinyl, pyrazinyl, isoxazolyl, pyrazolyl, indolyl, triazolyl and pyrimidinyl, wherein each such heteroaryl may optionally be substituted by one or more X4; X4 is halo, C1-3alkyl, C1-3alkyl0C1-3alkyl, -CH(CH3)-O-C(CH3)3,C1_4alkoxy, cyano, or hydroxyl, or Ci_2hydroxyalkyl;; and wherein said C1-3alkyl, C 1-3alkylOC1-3alkyl, -CH(CH3)-O-C(CH3)3, or C1_4alkoxy may each optionally be substituted by one or more fluoro; L1 is C1_4alkylene, which may optionally be fluorinated or hydroxylated; and L2 is C1-3alkylene; with the exception of the compounds: 2-[1-(1,5-dimethyl-lH-pyrazol-4-yl)ethyl]-5,7-dimethoxy-3-oxo-N-[2-(trifluoromethyl)benzyl]isoindoline-1-carboxamide; N-(4-fluorobenzyl)-3-oxo-2-(-pyridin-4-yletyl)isoindoline-1-carboxamide and N-(2-chlorobenzyl)-2[2-(1H-indol-3-yl)-1-methyletyl]-3-oxoisoindoline-1-carboxamide; The invention further relates to pharmaceutical compositions containing said compounds and to the use of said compounds in therapy.
    公式I的化合物被要求,其中R1是氢,C1-3烷基,C1-3烷氧基,基,羟基或卤素;其中C1-3烷基可以选择性地被一个或多个取代基取代,这些取代基独立地选自羟基,C1-3烷氧基或基;而C1-3烷氧基可以选择性地被一个或多个基取代;m为1或2;R2和R3分别且独立地选自氢,C1-4卤代烷基,C1-4卤代烷氧基,卤素,C1-4烷氧基,C1-4烷基和C3-7环烷氧基;其中所述的C3-7环烷氧基可以选择性地被一个或多个基取代;而且R2和R3都不能是氢;Het选自吡啶基,吡嗪基,异噁唑基,吡唑基,吲哚基,三唑基和嘧啶基中的任何一种,其中每种这样的杂环烷基可以选择性地被一个或多个X4取代;X4是卤素,C1-3烷基,C1-3烷氧基C1-3烷基,-CH(CH3)-O-C( )3,C1-4烷氧基,基,或羟基,或C1-2羟基烷基;而所述的C1-3烷基,C1-3烷氧基C1-3烷基,-CH( )-O-C( )3,或C1-4烷氧基可以选择性地被一个或多个基取代;L1是C1-4烷基,可以选择性地被化或羟基化;而L2是C1-3烷基;除了以下化合物:2-[1-(1,5-二甲基-1H-吡唑-4-基)乙基]-5,7-二甲氧基-3-氧代-N-[2-(三甲基)苯甲基]异吲哚啉-1-羧酰胺;N-(4-氟苯甲基)-3-氧代-2-(-吡啶-4-基乙基)异吲哚啉-1-羧酰胺和N-(2-氯苯甲基)-2[2-(1H-吲哚-3-基)-1-甲基乙基]-3-氧代异吲哚啉-1-羧酰胺;本发明还涉及含有所述化合物的药物组合物以及所述化合物在治疗中的使用。
  • [EN] ISOINDOLINE DERIVATIVES COMPRISING A CYANO GROUP AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS<br/>[FR] DÉRIVÉS D'ISO-INDOLINE COMPRENANT UN GROUPE CYANO ET LEUR UTILISATION DANS LE TRAITEMENT DE TROUBLES DE LA DOULEUR
    申请人:ASTRAZENECA AB
    公开号:WO2009145719A1
    公开(公告)日:2009-12-03
    Compounds of formula I are claimed, wherein R1 is hydrogen, C1_3alkyl, C1_3alkoxy, cyano, hydroxy or halo; and wherein said C1-3alkyl is optionally substituted by one or more substituents independently selected from hydroxy, C1_3alkoxy andfluoro; and said C1_3alkoxy is optionally substituted by one or more fluoro; m is 1, 2 or 3; R2 and R3 is each and independently selected from hydrogen, C1-4haloalkyl, C1-4haloalkoxy, halo, C1-4alkoxy, C1-4alkyl and C3_7Cycloalkyloxy; wherein said C3_7cycloalkyloxy is optionally substituted by one or more fluoro; and R2 and R3 may not both be hydrogen; L1 is C1-4alkylene, pentylene, or C3-6 cycloalkylene, wherein said C1-4alkylene, pentylene or C3-6 cycloalkylene may be optionally substituted by one or more X4; X4 is fluoro, C1_3alkyl, C3_7Cycloalkyl, C1_3alkylOCi_3alkyl, C1_3alkoxy, cyano, hydroxy, R4O(C=O)-, R4NR5(C=O)-, R4O(C=O)NR5-, R4NR5(C=O)NR5-, R4(C=O)O-, R4(C=O)NR5-, R4NR5(C=O)O-, R4NR5(C=O)NR5-, C5-6 heteroaryl(C=O), or C5-6 heteroaryl; R4 is C1-4 alkylOC1-4 alkyl, C5-6 cycloalkyl, aryl, or aryl-C1-2 alkyl; R5 is H or methyl; and wherein said C1-3 alkylOC1-3alkyl, C1-3alkoxy and C1-4alkylsulfonyl is optionally substituted by one or more fluoro; L2 is C1-3 alkylene, optionally substituted by one or more X4; as well as pharmaceutically acceptable salt, or isomer thereof, or a salt of said isomer. Compounds of the invention are useful in therapy, such as pain therapy.
    公式I的化合物被声明,其中R1是氢,C1_3烷基,C1_3烷氧基,基,羟基或卤素; 其中所述的C1-3烷基可以选择地被一个或多个独立选择自羟基,C1_3烷氧基和代基的取代基所取代; 所述的C1_3烷氧基可以选择地被一个或多个代基所取代; m为1、2或3; R2和R3分别且独立地选择自氢,C1-4卤代烷基,C1-4卤代烷氧基,卤素,C1-4烷氧基,C1-4烷基和C3_7环烷氧基; 其中所述的C3_7环烷氧基可以选择地被一个或多个代基所取代; R2和R3不能同时为氢; L1为C1-4烷基,戊烷基或C3-6环烷基,其中所述的C1-4烷基,戊烷基或C3-6环烷基可以选择地被一个或多个X4所取代; X4为代基,C1_3烷基,C3_7环烷基,C1_3烷基氧C1_3烷基,C1_3烷氧基,基,羟基,R4O(C=O)-,R4NR5(C=O)-,R4O(C=O)NR5-,R4NR5(C=O)NR5-,R4(C=O)O-,R4(C=O)NR5-,R4NR5(C=O)O-,R4NR5(C=O)NR5-,C5-6杂环芳基(C=O),或C5-6杂环芳基; R4为C1-4烷氧基C1-4烷基,C5-6环烷基,芳基,或芳基-C1-2烷基; R5为H或甲基; 其中所述的C1-3烷氧基C1-3烷基,C1-3烷氧基和C1-4烷基磺酰基可以选择地被一个或多个代基所取代; L2为C1-3烷基,可以选择地被一个或多个X4所取代; 以及药学上可接受的盐,或其异构体,或所述异构体的盐。本发明的化合物在治疗中很有用,如疼痛治疗。
  • DUPLEX OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE
    申请人:Yamada Christina
    公开号:US20080085869A1
    公开(公告)日:2008-04-10
    Provided herein are duplex oligonucleotide complexes which can be administered to a cell, tissue or organism to silence a target gene without the aid of a transfection reagent(s). The duplex oligonucleotide complexes of the disclosure include a conjugate moiety that facilitates delivery to a cell, tissue or organism.
    本文提供了一种双链寡核苷酸复合物,可以被输送到细胞、组织或生物体中,以沉默目标基因,而无需转染试剂的帮助。本公开的双链寡核苷酸复合物包括一个共轭基团,有助于将其输送到细胞、组织或生物体中。
  • EXTRACTS OF TETRASELMIS SP.
    申请人:Pertile Paolo
    公开号:US20100143267A1
    公开(公告)日:2010-06-10
    The present invention relates to extracts of Tetraselmis sp., preferably Tetraselmis suecica , its cosmetic, dermatological and/or therapeutic uses and compositions and cosmetic, dermatological or therapeutic products comprising such an extract of Tetraselmis sp., preferably Tetraselmis suecica.
    本发明涉及Tetraselmis sp.的提取物,优选为Tetraselmis suecica,以及其在化妆品、皮肤科和/或治疗用途中的用途、组合物和包含该Tetraselmis sp.提取物的化妆品、皮肤科或治疗产品。
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