找化学品上960化工网!
960化工网

α-甲基-o-(三氟甲基)苄醇 | 79756-81-3

α-甲基-o-(三氟甲基)苄醇
1-2-(Trifluoromethyl)phenylethanol
79756-81-3
C9H9F3O
190.162373304367
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:α-甲基-o-(三氟甲基)苄醇结构式
522725
名称和标识符
MDL MFCD00004513
InChIKey VGHBIJJTMFYTPY-UHFFFAOYSA-N
Inchi 1S/C9H9F3O/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-6,13H,1H3
SMILES FC(C1C(C(C)O)=CC=CC=1)(F)F
别名信息
- 中文别名 -
  • 1-(2-三氟甲基苯基)乙醇
  • 1-(2-甲基苯基)乙醇
  • α-甲基-o-(三氟甲基)苯甲醇
  • α-甲基-o-(三氟甲基)苄醇
  • alpha-甲基-2-(三氟甲基)苯甲醇
- 英文别名 -
  • 1-(2-(Trifluoromethyl)phenyl)ethanol
  • 1-[2-(Trifluoromethyl)phenyl]ethanol
  • alpha-Methyl-2-(trifluoromethyl)benzyl alcohol
  • alpha-Methyl-2-trifluoromethylbenzyl alcohol
  • Benzenemethanol, a-methyl-2-(trifluoromethyl)-
  • α-Methyl-2-trifluoromethylbenzyl alcohol
  • ?-Methyl-2-trifluoromethylbenzyl alcohol
  • 1-[2-(trifluoromethyl)phenyl]ethan-1-ol
  • alpha-methyl-2-(trifluoromethyl)benzylalcohol
  • VGHBIJJTMFYTPY-UHFFFAOYSA-N
  • 1-(o-trifluoromethylphenyl)-ethanol
  • Benzyl alcohol, .alpha.-methyl-o-(trifluoromethyl)-
  • Benzenemethanol, .alpha.-methyl-2-(trifluoromethyl)-
  • 2-(1-Hydroxyethyl)
  • Benzyl alcohol, α-methyl-o-(trifluoromethyl)- (7CI)
  • α-Methyl-2-(trifluoromethyl)benzenemethanol (ACI)
  • 1-[2-(Trifluoromethyl)phenyl]ethan-1-ol
  • α-Methyl-2-(trifluoromethyl)benzyl alcohol
  • DTXSID501290811
  • CS-M0523
  • EN300-20930
  • -Methyl-2-trifluoromethylbenzyl alcohol
  • CS-16981
  • A839750
  • MFCD00004513
  • SB44978
  • 2-methyl-3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate
  • 1-[2-(Trifluoromethyl)phenyl]ethanol
  • SY005053
  • 79756-81-3
  • SCHEMBL1047627
  • Z104484940
  • alpha-methyl-2-trifluoromethylbenzyl alcohol
  • .alpha.-Methyl-o-trifluoromethylbenzyl alcohol
  • .alpha.-Methyl-2-(trifluoromethyl)benzyl alcohol
  • A-Methyl-2-trifluoromethylbenzyl alcohol
  • NS00060415
  • FT-0605296
  • SCHEMBL13168657
  • FT-0622263
  • FT-0605127
  • A805758
  • (alphaS)-alpha-Methyl-2-(trifluoromethyl)benzenemethanol
  • AKOS000120510
  • AKOS016842827
物化性质
实验特性
LogP 2.75870
PSA 20.23000
沸点 207.4±35.0 ºC (760 Torr),
熔点 40-42°C
蒸气压 No data available
闪点 89.4±0.0 ºC,
溶解度 微溶 (2.9 g/L) (25 ºC),
颜色与性状 白色或者浅黄色块。
溶解性 几乎不溶于水,溶于醇类,丙酮。
密度 1.234±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 190.06100
氢键供体数量 1
氢键受体数量 4
可旋转化学键数量 1
同位素质量 190.06055
重原子数量 13
复杂度 167
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 1
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 2.3
互变异构体数量
表面电荷 0
拓扑分子极性表面积 20.2
国际标准相关数据
EINECS 279-252-0
合成路线

合成路线:1 步

反应条件:
参考文献:
Regioselective hydroboration-oxidation and -amination of fluoro-substituted styrenes
Ramachandran, P. Veeraraghavan; Madhi, Sateesh; O'Donnell, Martin J., Journal of Fluorine Chemistry, 2006, 127(9), 1252-1255

合成路线:1 步

反应条件:
参考文献:
Diruthenium(II)-NNN pincer complex catalysts for transfer hydrogenation of ketones
Chai, Huining; et al, Dalton Transactions, 2016, 45(44), 17843-17849

合成路线:1 步

反应条件:
参考文献:
Dimeric Ruthenium(II)-NNN Complex Catalysts Bearing a Pyrazolyl-Pyridylamino-Pyridine Ligand for Transfer Hydrogenation of Ketones and Acceptorless Dehydrogenation of Alcohols
Wang, Qingfu ; et al, Organometallics, 2017, 36(18), 3638-3644

合成路线:1 步

反应条件:
参考文献:
Assembled Multinuclear Ruthenium(II)-NNNN Complexes: Synthesis, Catalytic Properties, and DFT Calculations
Liu, Tingting ; et al, Organometallics, 2020, 39(1), 93-104

合成路线:1 步

反应条件:
参考文献:
Transfer Hydrogenation of Aldehydes and Ketones in Air with Methanol and Ethanol by an Air-Stable Ruthenium-Triazole Complex
Ghosh, Rahul; et al, ACS Sustainable Chemistry & Engineering, 2021, 9(13), 4903-4914

合成路线:1 步

反应条件:
参考文献:
Exceptionally Active Assembled Dinuclear Ruthenium(II)-NNN Complex Catalysts for Transfer Hydrogenation of Ketones
Liu, Tingting ; et al, Organometallics, 2017, 36(15), 2914-2921

合成路线:1 步

反应条件:
参考文献:
Cooperative N-H and CH2 Skeleton Effects on the Catalytic Activities of Bimetallic Ru(II)-NNN Complexes: Experimental and Theoretical Study
Chai, Huining ; et al, Organometallics, 2017, 36(21), 4268-4277

合成路线:1 步

反应条件:
参考文献:
Ru(II) pyridyl-based NNN complex catalysts for (asymmetric) transfer hydrogenation of ketones at room temperature
Du, Wangming; et al, Cuihua Xuebao, 2013, 34(7), 1373-1377

合成路线:1 步

反应条件:
参考文献:
Optically active amines. 34. Application of the benzene chirality rule to ring-substituted phenylcarbinamines and carbinols
Pickard, Simeon T.; et al, Journal of the American Chemical Society, 1990, 112(15), 5741-7

合成路线:1 步

反应条件:
参考文献:
Transfer Hydrogenation of Aldehydes and Ketones in Air with Methanol and Ethanol by an Air-Stable Ruthenium-Triazole Complex
Ghosh, Rahul; et al, ACS Sustainable Chemistry & Engineering, 2021, 9(13), 4903-4914

合成路线:1 步

参考文献:
Selection of methods for the unequivocal synthesis of alkynes. Part 3. Arylacetylenes and 1-arylalk-1-ynes
Mesnard, Danielle; et al, Journal of Chemical Research, 1981, (9), 270-1
专业数据库参考
PubChemId 522725
960化工网为您提供α-甲基-o-(三氟甲基)苄醇专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:79756-81-3,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:79756-81-3
平台客服 平台客服

平台在线客服