1,4-dimethyl-3-methoxy-naphthalene | 4705-95-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,4-dimethyl-3-methoxy-naphthalene
• 英文别名: 2-methoxymethyl-1,4-dimethyl-naphthalene；1,4-dimethyl-2-methoxynaphthalene；2-Methoxy-1,4-dimethylnaphthalene；5,8-dimethyl-6-methoxy naphthalene；1,4-dimethyl-2methoxy naphthalene；(1,4-dimethyl-[2]naphthyl)-methyl ether
• CAS: 4705-95-7
• 化学式: C₁₃H₁₄O
• 分子量: 186.254
• InChiKey: INAKIINDNRVXSG-UHFFFAOYSA-N

物化性质

• 熔点：
  66-67.5 °C
• 沸点：
  303.0±11.0 °C(Predicted)
• 密度：
  1.034±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,4-dimethyl-3-methoxy-naphthalene 在 氢溴酸 作用下， 以 溶剂黄146 为溶剂， 生成 1,4-dimethyl-2-naphthol
  参考文献：
  名称：

  Fetizon,M.; Nguyen Trong Anh, Bulletin de la Societe Chimique de France, 1965, p. 3208 - 3210

  摘要：

  DOI：
• 作为产物：
  描述：

  4-(4-methoxy-2,5-dimethylphenyl)butanoic acid 在 palladium on activated charcoal lithium aluminium tetrahydride 、 PPA 、 对甲苯磺酸 作用下， 以 乙醚 为溶剂， 生成 1,4-dimethyl-3-methoxy-naphthalene
  参考文献：
  名称：

  Fetizon,M.; Nguyen Trong Anh, Bulletin de la Societe Chimique de France, 1965, p. 3208 - 3210

  摘要：

  DOI：

文献信息

• Functionalization of the methyl group of 1,4-dimethyl-1,4-dihydronaphthalene-1,4-endoperoxide
  作者：Charles W. Jefford、Jean-Claude Rossier、Shigeo Kohmoto、John Boukouvalas

  DOI：10.1039/c39840001496

  日期：——

  The acid-catalysed cleavage of 1,4-dimethyl-1,4-dihydronaphthalene-1,4-endoperoxide gives the 4-hydroxy, methoxy, trifluoroacetoxy, formyloxy, bromo, and chloro methyl derivatives of 1-methylnaphthalene in yields of 36,38,52,76,77, and 100% respectively when water, methanol, trifluoracetic, formic, hydrobromic, or hydrochloric acids are used as reagents.

  1,4-二甲基-1,4-二氢萘-1,4-内过氧化物的酸催化裂解反应生成1-甲基萘的4-羟基，甲氧基，三氟乙酰氧基，甲酰氧基，溴和氯甲基衍生物，收率为36，当使用水，甲醇，三氟乙酸，甲酸，氢溴酸或盐酸作为试剂时，分别为38,52,76,77和100％。
• Acid-Catalyzed Cleavage of 1,4-Dimethyl-1,4-dihydronaphthalene 1,4-Endoperoxide. Reactivity of the Resulting Hydroperoxy Carbocation with Nucleophiles
  作者：Charles W. Jefford、Jean-Claude Rossier、Shigeo Kohmoto、John Boukouvalas

  DOI：10.1002/hlca.19850680635

  日期：1985.9.25

  In the presence of acids, 1,4-dimethyl-1,4-dihydronaphthalene 1,4-endoperoxide readily reacts with nucleophiles to produce methyl- and ring-substituted naphthalenes in high yields. The regioselectivity observed depends on the nucleophile. The key intermediate is shown to be the corresponding hydroperoxy carbocation which could be intercepted in certain cases prior to aromatization. The hydroperoxide

  在酸的存在下，1,4-二甲基-1,4-二氢萘1,4-内过氧化物容易与亲核试剂反应，以高收率生产甲基和环取代的萘。观察到的区域选择性取决于亲核试剂。关键中间体显示为相应的氢过氧碳正离子，在某些情况下，芳构化之前可能会截获该氢。氢过氧化物也经历霍克型裂解和二聚化，得到2,3-二氢-1-苯并氧杂环丁烷，4-甲基-1-萘酚和1,2,5,6-四氧杂环己烷作为副产物。
• Naphthalene derivatives possessing a retinoid-type action, processes for
  申请人：L'Oreal

  公开号：US04876381A1

  公开（公告）日：1989-10-24

  The invention relates to a compound of the formula (II) ##STR1## and the corresponding isomers and salts, in which formula: a and b are integers which independently of one another can assume the values 0 or 1, R.sub.1, R.sub.2, R.sub.3 and R.sub.4 represent, independently, a hydrogen atom, a linear or branched C.sub.1 -C.sub.6 -alkyl radical or a C.sub.1 -C.sub.4 -alkoxy radical, R.sub.6 represents a C.sub.1 -C.sub.6 -alkyl radical, R.sub.5 and R.sub.12 represent a hydrogen atom or a C.sub.1 -C.sub.4 -alkyl radical, with the proviso that R.sub.5 cannot represent hydrogen if a=b=0 and R.sub.11 has various meanings. These compounds have useful dermatological properties.

  本发明涉及公式（II）的化合物及其对应的异构体和盐，其中公式中：a和b是整数，可以独立地取值为0或1，R1，R2，R3和R4分别独立地表示氢原子，线性或支链状的C1-C6烷基基团或C1-C4烷氧基基团，R6表示C1-C6烷基基团，R5和R12表示氢原子或C1-C4烷基基团，但是当a=b=0时，R5不能表示氢，R11具有不同的含义。这些化合物具有有用的皮肤学性质。
• 6-Amino-Pyrimidine-4-Carboxamide Derivatives and Related Compounds Which Bind to the Sphingosine 1-Phosphate (S1P) Receptor for the Treatment of Multiple Sclerosis
  申请人：Bombrun Agnes

  公开号：US20100210619A1

  公开（公告）日：2010-08-19

  The invention relates to compounds of formula (I): wherein X, W, Q, R, R 1 and R 2 have the meanings given in claim 15. The compounds are useful e.g. in the treatment of autoimmune disorders, such as multiple sclerosis.

  该发明涉及式(I)的化合物：其中X、W、Q、R、R1和R2的含义如权利要求15所述。该化合物在治疗自身免疫性疾病（如多发性硬化症）等方面是有用的。
• 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS
  申请人：Merck Serono Sa

  公开号：US20130109669A1

  公开（公告）日：2013-05-02

  The invention relates to compounds of formula (I): wherein X, W, Q, R, R 1 and R 2 have the meanings given in claim 1 . The compounds are useful e.g. in the treatment of autoimmune disorders, such as multiple sclerosis.

  本发明涉及式(I)的化合物：其中X、W、Q、R、R1和R2具有权利要求1中给出的含义。该化合物可用于治疗自身免疫性疾病，如多发性硬化症。