Hexafluoroacetone
benzene
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
Conditions | Yield |
---|---|
With aluminium trichloride at 50 - 54℃; for 6h; | 86% |
With aluminum (III) chloride at 51℃; Friedel-Crafts Acylation; Inert atmosphere; | 70% |
Hexafluoroacetone
benzene
A
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
B
1,1,1,3,3,3-hexafluoro-2-phenylisopropyl alcohol
C
1,1,1,3,3,3-hexafluoro-2-[4-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)-phenyl]-propan-2-ol
Conditions | Yield |
---|---|
With aluminium trichloride at 50 - 54℃; for 5h; | A 54% B 20% C 6% |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
5-Iodo-α,α,α',α'-tetrakis(trifluoromethyl)-1,3-benzenedimethanol
Conditions | Yield |
---|---|
With sulfuric acid; iodine for 7h; Ambient temperature; | 89% |
With sulfuric acid; sulfur trioxide; iodine at 70 - 72℃; for 2h; | 77% |
With fuming sulphuric acid; iodine at 70℃; for 2h; | 70% |
Methyl methanesulfonate
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
1,3-bis<1-methoxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl>benzene
Conditions | Yield |
---|---|
Stage #1: 1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene With sodium hydride In N,N-dimethyl-formamide at -20 - -10℃; Stage #2: Methyl methanesulfonate In N,N-dimethyl-formamide at 20℃; for 12h; | 81% |
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-1-ol
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
Conditions | Yield |
---|---|
With triphenylphosphine; diethylazodicarboxylate In various solvent(s) at 20℃; for 1h; | 61% |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
dimethyl sulfoxide
Conditions | Yield |
---|---|
at 120 - 125℃; for 5h; | 43% |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
A
5-Iodo-α,α,α',α'-tetrakis(trifluoromethyl)-1,3-benzenedimethanol
Conditions | Yield |
---|---|
With sulfur trioxide; iodine In sulfuric acid |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
2,2,2-trifluoroethyl trifluoromethanesulphonate
Conditions | Yield |
---|---|
Stage #1: 1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene With sodium hydride In N,N-dimethyl-formamide at -20 - -10℃; Stage #2: 2,2,2-trifluoroethyl trifluoromethanesulphonate In N,N-dimethyl-formamide at 60℃; for 6h; |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 77 percent / H2SO4, SO3, I2 / 2 h / 70 - 72 °C 2: 3.8 g / Cu, 2-iodoheptafluoropropane / 10 h / 135 - 140 °C View Scheme |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 77 percent / H2SO4, SO3, I2 / 2 h / 70 - 72 °C 2: 87 percent / Cu / 135 - 140 °C View Scheme |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 77 percent / H2SO4, SO3, I2 / 2 h / 70 - 72 °C 2: 2.5 percent / Cu / 16 h / 145 °C View Scheme |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 77 percent / H2SO4, SO3, I2 / 2 h / 70 - 72 °C 2: 78 percent / Cu / 135 - 140 °C View Scheme |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 77 percent / H2SO4, SO3, I2 / 2 h / 70 - 72 °C 2: 91 percent / Cu / 135 - 140 °C View Scheme |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 77 percent / H2SO4, SO3, I2 / 2 h / 70 - 72 °C 2: 88 percent / Cu / 16 h / 120 - 125 °C View Scheme |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
3,5-bis<2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)-1-(trifluoromethyl)ethyl>iodobenzene
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 89 percent / I2, 30percent H2SO4 / 7 h / Ambient temperature 2: 1.) NaH / 1.) DMF, 2.) DMF, 50 deg C, 35 min View Scheme |
Conditions | Yield |
---|---|
aluminum (III) chloride at 50℃; |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
3-(triethoxypropyl) isocyanate
C32H48F12N2O10Si2
Conditions | Yield |
---|---|
In toluene at 20 - 25℃; for 168h; |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
methanesulfonyl chloride
Conditions | Yield |
---|---|
With triethylamine In dichloromethane |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
Ethanesulfonyl chloride
B
1,3-bis-(1-ethanesulfonyloxy-2,2,2-trifluoro-1-trifluoro-methylethyl)-benzene
Conditions | Yield |
---|---|
In hexane; N,N-dimethyl-formamide |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
p-toluenesulfonyl chloride
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
4-chlorobenzenesulfonyl chloride
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
acryloyl chloride
1,3-Bis(2-hydroxyhexafluoro-2-propyl)benzene diacrylate
Conditions | Yield |
---|---|
In 1,1,2-Trichloro-1,2,2-trifluoroethane |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
tetrabutyl-ammonium chloride
Conditions | Yield |
---|---|
In [D3]acetonitrile at 24.84℃; |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
tetrabutyl-ammonium chloride
Conditions | Yield |
---|---|
In [D3]acetonitrile at 20℃; |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
tetrabutylammomium bromide
Conditions | Yield |
---|---|
In [D3]acetonitrile at 24.84℃; |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
Conditions | Yield |
---|---|
In [D3]acetonitrile at 24.84℃; |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
Conditions | Yield |
---|---|
In [D3]acetonitrile at 24.84℃; |
1,3-bis-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-benzene
tetrabutylammonium acetate
Conditions | Yield |
---|---|
In [D3]acetonitrile at 24.84℃; |
The 1,3-Benzenedimethanol, α1,α1,α3,α3-tetrakis(trifluoromethyl)-, with the CAS registry number 802-93-7, is also known as 2,2'-Benzene-1,3-diylbis(1,1,1,3,3,3-hexafluoropropan-2-ol). It belongs to the product categories of Fluorenes, etc. (reagent for high-performance polymer research); Functional Materials; Reagent for High-Performance Polymer Research; Organic Building Blocks; Oxygen Compounds; Polyols. Its EINECS registry number is 212-354-5. This chemical's molecular formula is C12H6F12O2 and molecular weight is 410.16. What's more, its IUPAC name is called 1,1,1,3,3,3-Hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol. It is clear colorless to slightly yellow liquid.
Physical properties about 1,3-Benzenedimethanol, α1,α1,α3,α3-tetrakis(trifluoromethyl)- are: (1)ACD/LogP: 5.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.35; (4)ACD/LogD (pH 7.4): 5.32; (5)ACD/BCF (pH 5.5): 6831.43; (6)ACD/BCF (pH 7.4): 6435.87; (7)ACD/KOC (pH 5.5): 19330.3; (8)ACD/KOC (pH 7.4): 18211.05; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.384; (14)Molar Refractivity: 58.65 cm3; (15)Molar Volume: 250.3 cm3; (16)Surface Tension: 23.5 dyne/cm; (17)Density: 1.638 g/cm3; (18)Flash Point: 97.2 °C; (19)Enthalpy of Vaporization: 57.46 kJ/mol; (20)Boiling Point: 303.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000398 mmHg at 25 °C; (22)Melting Point: 9-10 °C.
Preparation of 1,3-Benzenedimethanol, α1,α1,α3,α3-tetrakis(trifluoromethyl)-: this chemical can be prepared by 1,1,1,3,3,3-Hexafluoro-propan-2-one with Benzene. This reaction needs reagent AlCl3 at temperature of 50-54 °C. The reaction time is 6 hours. The yield is 86 %.
Uses of 1,3-Benzenedimethanol, α1,α1,α3,α3-tetrakis(trifluoromethyl)-: it is used to produce other chemicals. For example, it is used to produce 1,1,1,3,3,3-Hexafluoro-2-[3-iodo-5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenyl]-propan-2-ol. The reaction occurs with reagents H2SO4, SO3, I2 at temperature of 70-72 °C for 2 hours. The yield is 77 %.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It may destroy living tissue on contact. Therefore, you should wear suitable gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)C(O)(c1cccc(c1)C(O)(C(F)(F)F)C(F)(F)F)C(F)(F)F
(2) InChI: InChI=1/C12H6F12O2/c13-9(14,15)7(25,10(16,17)18)5-2-1-3-6(4-5)8(26,11(19,20)21)12(22,23)24/h1-4,25-26H
(3) InChIKey: PGUIOHNOYADLMU-UHFFFAOYAW
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View