2,3,4-trimethylcyclopent-2-en-1-ol | 40459-94-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,3,4-trimethylcyclopent-2-en-1-ol
• 英文别名: 2,3,4-Trimethyl-2-cyclopenten-1-ol
• CAS: 40459-94-7
• 化学式: C₈H₁₄O
• 分子量: 126.199
• InChiKey: FQIHANRFBAXWKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 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：

  2,3,4-trimethylcyclopent-2-en-1-ol 生成 2,3,4-三甲基二环[2.2.1]庚-2-烯
  参考文献：
  名称：

  Alder; Muders, Chemische Berichte, 1958, vol. 91, p. 1083,1091

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3,4-trimethylcyclopent-2-en-1-one 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 24.0h， 以87%的产率得到2,3,4-trimethylcyclopent-2-en-1-ol
  参考文献：
  名称：

  Charge-Transfer Salts of Ferrocene Derivatives with Bis(maleonitriledithiolato)metallate(III) Complexes ([M(mnt)2]−, M=Ni, Pt): A Ground-State High-Spin [(Ni(mnt)2)2]2− Dimer

  摘要：

  New hexamethylated ferrocene derivatives containing thioether moieties (1,1'-bis[(tert-butyl)thio]2,2',3,3',4,4'-hexamethylferrocene (3a,b)) or fused S-heteropolycyclic substituents (rac-1-[(1,3-benzodithiol-2-yliden)methyl]-2,2',3,3',4,4'-hexamethylferrocene (14)), as well as a series of ferrocene-substituted vinylogous tetrathiafulvalenes (1,1'-bis[1,1'-bis[1,2-bis(1,3-dithiolo[4,5-b][1,4]dithiin-2-yliden)ethyl]ferrocene (6a), 1,1'-bis[1-(1,3-benzodithiol-2-yliden)-2-(5,6-dihydro-1,3-dithiolo[4,5-b][1,4]dithiin-2-yliden)ethylferrocene (6b), [1,2-bis(1,3-benzodithiol-2-yliden)-ethyl]ferrocene (21a), [1-(1,3-benzodithiol-2-yliden)-2-(5,6-dihydro-1,3-dithiolo[4,5-b][1,4]dithiin-2-yliden)-ethyl]ferrocene (21b), [1,2-bis(5,6-dihydro-1,3-dithiolo[4,5-b][1,4]dithiin-2-yliden)ethyl]ferrocene (21c), [1-(5,6-dihydro-1,3-dithiolo[4,5-b][1,4-b][1,4]dithiin-2-yliden)-2-(1,3-benzodithiol-2-yliden)ethyl]ferrocene (21d)) were prepared and fully characterized. Their redox properties show that some of them are easily oxidized and undergo transformation to paramagnetic salts containing bis(maleonitriledithiolato)-metallate(III) anions [M(mnt)(2)](-) (M = Ni, Pt; bis[2,3-dimercapto-kappa S)but-2-enedinitrilato(2(-))]nickelate (1(-)) or -platinate (1(-)). The derivatives [3a] [Ni(mnt)(2)] (26), [3a][Pt(mnt)(2)] (27), [Fe{(eta(5)-C5Me4S)(2)S}] [Ni(Mnt)(2)] (28), [Fe{(eta(5)-C5Me4S)(2)S}] [Pt(mnt)(2)] (29), [5] [Ni(mnt)(2)] . ClCH2CH2Cl (30), [6a] [Ni(mnt)(2)] (31), [6a] [Ni(mnt)(2)] . ClCH2CH2Cl (31a), [6a] [Pt(mnt)(2)] [32), and [6b] [Ni(mnt)(2)] (33) were prepared and fully characterized, including by SQUID (superconducting quantum interference device) susceptibility measurements. X-Ray crystal-structural studies of the neutral ferrocene derivatives 6a,b, 21c,d, and 1,1'-bis[1-(1,3-benzodithiol-2-yliden)-2-oxoethyl]ferrocene (23), as well as of the charge-transfer salts 26-28, 30, and 31a, are reported. The salts 28 and 30 display both a D(+)A(-)A(-)D(+) structural motif, however, with a different relative arrangement of the [P{Ni(mnt)(2)}(2)](2-) dimers, thus giving rise to different but strong antiferromagnetic couplings. Salt 26 exhibits isolated ferromagnetically coupled [(Ni(mnt)(2)}(2)](2) dimers. Salt 27 displays a D(+)A(-)D(+)A(-) structural motif in all three space dimensions, and a week ferromagnetic ordering at low temperature. Salt 31a, on the contrary shows segregated stacks of cations and anions. The cations are connected with each other in two dimensions, and the: anions are separated by a 1,2-dichloroethane molecule.

  DOI：

  10.1002/(sici)1522-2675(19990908)82:9<1324::aid-hlca1324>3.0.co;2-f

文献信息

• Cyclopentadiene with two coordinating sites: 1,5-bis(diphenylphosphino) -2,3,4-trimethylcyclopenta-1,3-diene
  作者：Roland Broussier、Serge Ninoreille、Corinne Legrand、Bernard Gautheron

  DOI：10.1016/s0022-328x(96)06773-3

  日期：1997.4

  The possibility of obtaining the new bidentate 1,2-diphenylphosphinocyclopentadienyl ligand has been studied. 1,5-bis(diphenylphosphino)-2,3,4-trimethylcyclopenta-1,3-diene can be formed from butanone and chlorodiphenylphosphine in eight steps. The results of chemical and spectroscopic studies reveal that a 1,5-sigmatropic migration of the diphenylphosphino group takes place: the 1,2-diphenylphosphino-substituted species are converted into 1,3 species.
• Mironow et al., Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1964, p. 864,871; engl. Ausg. S. 808
  作者：Mironow et al.

  DOI：——

  日期：——