3-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)propionic acid | 119435-94-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)propionic acid
• 英文别名: 3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid；5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenepropanoic acid；3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid
• CAS: 119435-94-8
• 化学式: C₁₇H₂₄O₂
• 分子量: 260.376
• InChiKey: MMAARWQHVKRQBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)propionic acid 在 sodium tetrahydroborate 、 三氯化铝 、 氯化亚砜 、 三溴化磷 、 N,N-二甲基甲酰胺 作用下， 以 甲醇 、 乙醚 、 正己烷 、 苯 为溶剂， 反应 9.5h， 生成 Methyl (E)-4-<(5,6,7,8-tetrahydro-5,5,8,8-tetramethylbenzindan-1-ylidene)methyl>benzoate
  参考文献：
  名称：

  Retinobenzoic acids. 3. Structure-activity relationships of retinoidal azobenzene-4-carboxylic acids and stilbene-4-carboxylic acids

  摘要：

  Alkyl-substituted azobenzene-4-carboxylic acids are potent differentiation inducers of human promyelocytic leukemia cell line HL-60 to mature granulocytes. Their structure-activity relationships are very similar to those of other retinoidal benzoic acids which are generally represented by 4 and named retinobenzoic acids. The structure-activity relationships of azobenzenecarboxylic acids can also be applied to the known retinoid TTNPB (3). Thus, (E)-4-[2-(3,4-diisopropylphenyl)-1-propenyl]benzoic acid (St30 (28] and (E)-4-[2-(3-tert-butylphenyl)ethenyl]benzoic acid (St40 (29], the acyclic alkyl analogues of TTNPB, are nearly as active as retinoic acid. Among the oxidatively derived compounds (Az90, Ep series and Ox series) of azobenzene- or stilbenecarboxylic acids, Az90 (71) and Ep80 (61) have strong activities. However, all the bishydroxylated derivatives of TTNPB are inactive, while a diketo analogue Ox580 (69) has only weak potency. The activities of conformationally restricted compounds of TTNPB offer some information on the stereochemistry of the active form of these retinoidal compounds.

  DOI：

  10.1021/jm00125a027
• 作为产物：
  描述：

  (E)-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)acrylic acid 在 palladium 10% on activated carbon 、 氢气 作用下， 以 四氢呋喃 为溶剂， 生成 3-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)propionic acid
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of novel diarylalkyl amides as TRPV1 antagonists

  摘要：

  We have developed a new class of diarylalkyl amides as novel TRPV1 antagonists. They exhibited potent Ca-45(2+) uptake inhibitions in rat DRG neuron. In particular, the amide 59 was identified as a potent antagonist with IC50 of 57 nM. The synthesis and structure-activity relationship of the diarylalkyl amides are also described. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.04.010

文献信息

• SUBSTITUTED BIS-2-INDENYL METALLOCENE COMPOUNDS
  申请人：SABIC Global Technologies B.V.

  公开号：EP3844196A1

  公开（公告）日：2021-07-07
• COMPOUNDS FOR USE IN CATALYST COMPOSITIONS FOR THE PRODUCTION OF POLYOLEFINS
  申请人：SABIC Global Technologies, B.V.

  公开号：EP4028437A1

  公开（公告）日：2022-07-20
• [EN] SUBSTITUTED BIS-2-INDENYL METALLOCENE COMPOUNDS<br/>[FR] COMPOSÉS BIS-2-INDÉNYL-MÉTALLOCÈNES SUBSTITUÉS
  申请人：SABIC GLOBAL TECHNOLOGIES BV

  公开号：WO2020043815A1

  公开（公告）日：2020-03-05

  The present invention provides a compound according to formula (I): (I) wherein: • R2 is a bridging moiety containing at least one sp2 hybridised carbon atom; • each R4, R4', R7 and R7' are hydrogen or moieties comprising 1-10 carbon atoms, wherein each R4, R4', R7 and R7' are the same; • each R5, R5', R6 and R6' are moieties comprising 1-10 carbon atoms, wherein each R5, R5', R6 and R6' are the same; and • Z is a moiety selected from ZrX2, HfX2, or TiX2, wherein X is selected from the group of halogens, alkyls, aryls and aralkyls. Such compound allows for the preparation of catalyst systems that provide improved olefin reactivity, such as ethylene reactivity, increased molecular weight in olefin polymerisation, such as increased Mw in ethylene polymerisation, and increased comonomer incorporation in copolymerisation reactions of olefins, such as in copolymerisation reactions of ethylene with 1- hexene.
• [EN] COMPOUNDS FOR USE IN CATALYST COMPOSITIONS FOR THE PRODUCTION OF POLYOLEFINS<br/>[FR] COMPOSÉS DESTINÉS À ÊTRE UTILISÉS DANS DES COMPOSITIONS DE CATALYSEUR PERMETTANT LA PRODUCTION DE POLYOLÉFINES
  申请人：SABIC GLOBAL TECHNOLOGIES BV

  公开号：WO2021048030A1

  公开（公告）日：2021-03-18

  The present invention relates to compounds according to formula I, wherein: R1 is a cyclopentadienyl moiety or a moiety comprising a cyclopentadienyl ring structure; R2 is a moiety M(R5)2 or MR5, wherein M is a metal selected from hafnium, titanium or zirconium, and R5 is F, Cl, I, Br or an alkyl-moiety comprising 1 to 10 carbon atoms, preferably methyl, benzyl, butadiene or pentadiene; R3 is H, an alkyl or aryl moiety comprising 1 to 10 carbon atoms, or a moiety comprising N or O and 1 to 15 carbon atoms; R4 is H, an alkyl or aryl moiety comprising 1 to 10 carbon atoms, or a moiety comprising N or O and 1 to 15 carbon atoms, or a halogen; wherein if R3 is H, R4 is a moiety other than H, and if R4 is H, R3 is a moiety other than H; each R6 is individually selected from H, a halogen, an alkyl moiety, an aryl moiety, a halogen-substituted alkyl moiety, a halogen-substituted aryl moiety, an alkoxy moiety, a siloxy-moiety, or a nitrogen-containing moiety, preferably H. Such compounds may be used in a catalyst system for olefin polymerisation, particularly ethylene copolymerisation, providing at least one of a high catalyst activity, a high comonomer incorporation, and/or a high molecular weight polymer.