Conditions | Yield |
---|---|
With diethylamine In hexane at 0℃; for 1h; Reagent/catalyst; Inert atmosphere; | 85% |
With NH3 In benzene byproducts: NH4Cl; NH4Cl sepd., Ti(OiPr)4 distilled; elem. anal.; | 70% |
With sodium byproducts: NaCl; isopropanol was placed in flask, Na was added with heating, Ti-salt was introduced; extd. with hexane, centrifuged, solvents were distilled off, vac. distillation; | 59.7% |
With ammonia In benzene under N2; TiCl4 added slowly dropwise with stirring to alc. at 0°C; the resultant mixt. dild. with benzene; dry ammonia passed for 1 h; mixt. heated for 2-3 h on a water bath at 60-65°C; ppt. filtered off; distd. under vac.; | |
With trimethylamine In not given TiCl4 reacted with 2-propanol in the presence of trimethylamine; |
Conditions | Yield |
---|---|
In neat (no solvent) byproducts: NaCl; Ar; extd. with hexane, NaCl was centrifuged; | 60% |
Conditions | Yield |
---|---|
In not given Electrolysis; Ti anode, Pt cathode, Ar-atmosphere, stirring, 30 V/0.15 A, 16 h; soln. contg. various salts (Bu4NBr, Bu4NBF4, NaBr or other); distn. (50-60°C, 10 mm); elem. anal.; | |
With Bu4NBr In neat (no solvent) byproducts: H2; Electrochem. Process; Ar, at 30 V for 16 h; vac. distn.; elem. anal.; |
Conditions | Yield |
---|---|
In neat (no solvent) Ar-atmosphere; addn. of equimolar amt. of acetaldehyde to Ti-compd. at -15°C, stirring (room temp., 2 h); |
A
titanium(IV) isopropylate
Conditions | Yield |
---|---|
In dichloromethane-d2 not isolated (NMR investigation of the reaction mixture); |
Conditions | Yield |
---|---|
In neat (no solvent) TiBeAl(OPri)9 disproportionates on heating under reduced pressure; |
Conditions | Yield |
---|---|
In neat (no solvent) TiBe2Al2(OPri)14 disproportionates on heating under reduced pressure; |
triisopropoxytitanium(IV) chloride
A
titanium(IV) isopropylate
Conditions | Yield |
---|---|
With n-butyllithium In tetrahydrofuran ligand reacted with n-BuLi (1.1 equiv.) in THF at -78°C; treated with Ti compd. (1.1 equiv.) at -78°C; warmed to room temp.; not isolated; detd. by NMR spectra; |
triisopropoxytitanium(IV) chloride
A
titanium(IV) isopropylate
Conditions | Yield |
---|---|
With n-butyllithium In tetrahydrofuran ligand reacted with n-BuLi (1.1 equiv.) in THF at -78°C; treated with Ti compd. (1.1 equiv.) at -78°C; warmed to room temp.; not isolated; detd. by NMR spectra; |
triisopropoxytitanium(IV) chloride
A
titanium(IV) isopropylate
Conditions | Yield |
---|---|
With n-butyllithium In tetrahydrofuran ligand reacted with n-BuLi (1.1 equiv.) in THF at -78°C; treated with Ti compd. (1.1 equiv.) at -78°C; warmed to room temp.; not isolated; detd. by NMR spectra; |
A
titanium(IV) isopropylate
Conditions | Yield |
---|---|
In neat (no solvent) under N2; heated under reduced pressure (ca. 1E-2 Torr); |
A
titanium(IV) isopropylate
Conditions | Yield |
---|---|
In neat (no solvent) under N2; heated under reduced pressure (ca. 1E-2 Torr); |
Conditions | Yield |
---|---|
In dichloromethane dry N2-atmosphere; stirring of stoich. amts. (room temp., 1 h); evapn. (reduced pressure), dissoln. in pentane, pptn. on cooling, filtration, drying (vac.), recrystn. (pentane); elem. anal.; |
A
titanium(IV) isopropylate
Conditions | Yield |
---|---|
In neat (no solvent) under N2; heated under reduced pressure (ca. 1E-2 Torr); |
A
titanium(IV) isopropylate
Conditions | Yield |
---|---|
In neat (no solvent) under N2; heated under reduced pressure (ca. 1E-2 Torr); |
diisopropoxy-bis(N,N-diethylamine-N-carbodithioato)titanium(IV)
A
titanium(IV) isopropylate
B
isopropoxy-tris(N'-methylpiperidine-N-carbodithioato)titanium(IV)
Conditions | Yield |
---|---|
In chloroform-d1 identified by NMR; |
titanium(IV) isopropylate
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: neat (no solvent) 2: dichloromethane 3: neat (no solvent) View Scheme | |
Multi-step reaction with 3 steps 1: neat (no solvent) 2: dichloromethane 3: neat (no solvent) View Scheme |
Conditions | Yield |
---|---|
With ethylenediamine In methanol |
Conditions | Yield |
---|---|
In diethyl ether at 20℃; for 2h; | 100% |
titanium(IV) isopropylate
(S)-[1,1']-binaphthalenyl-2,2'-diol
Conditions | Yield |
---|---|
With 4 A molecular sieve In dichloromethane at 18 - 25℃; for 1h; | 100% |
In dichloromethane at 20℃; for 1h; Molecular sieve; | 100% |
Conditions | Yield |
---|---|
In neat (no solvent) High Pressure; for 1 d at 200°C; XRD; | 100% |
Conditions | Yield |
---|---|
In gas byproducts: CH3CHCH2; decomposition at a pressure of ca. 0.01 mm of Hg at 700°C; org. compounds collected in a liquid-N2 trap; NMR; GC; mass spectra; | A n/a B 100% |
Conditions | Yield |
---|---|
In methanol N2-atmosphere; stirring (1 h); washing (hexanes), drying (vac.); | 100% |
In methanol under N2 atm. titanium(IV) isopropoxide was added to excess methanol and resulting slurry was stirred for 4 h; solvent was removed under vac., product was purified by recrystn. from hot methanol; | 96% |
titanium(IV) isopropylate
9-(Me3Si)fluorenyl-Si(OH)3
Conditions | Yield |
---|---|
With water In hexane under Ar atm. at room temp. Ti(OiPr)4 in hexane was added dropwise to suspn. 9-(Me3Si)Fluorenyl-Si(OH)3 and water in hexane, stirred for 15 h; volatiles were removed in vacuo, residue was dried in vacuo and recrystd. from hexane at -30°C; elem. anal.; | 100% |
Conditions | Yield |
---|---|
In dichloromethane soln. of Ti-complex in CH2Cl2 was added to soln. of 4-t-butylphenol in CH2Cl2, ligand in CH2Cl2 was added, stirred for 10 min at room temp. under N2; concd. in vacuo, dried in vacuo with gentle heating for 3 h; | 100% |
titanium(IV) isopropylate
HOC(CF3)2CH2N(CH3)(CH2)2N(CH3)CH2C(CF3)2OH
Conditions | Yield |
---|---|
In toluene byproducts: i-PrOH; under Ar; soln. of ligand (1 equiv.) in toluene (-30°C) added dropwise over 5 min under stirring to soln. of Ti compd. in toluene (-30°C); warmed slowly to room temp. over 12 h under stirring; volatiles removed under vac.; washed with pentane; dried in vac.; elem. anal.; | 100% |
C6H4(NHCH2C6H2Cl2(OH))2
titanium(IV) isopropylate
Conditions | Yield |
---|---|
In diethyl ether under N2, etheral soln. of ligand added to etheral soln. of metal compd.(1:1) at -30°C, warmed to room temp., stirred for 1 h; elem. anal.; | 100% |
C6H4(NHCH2C6H2(C(CH3)3)2(OH))2
titanium(IV) isopropylate
Conditions | Yield |
---|---|
In diethyl ether under N2, etheral soln. of ligand added to etheral soln. of metal compd.(1:1) at -30°C, warmed to room temp., stirred for 1 h; recrystd. (pentane), elem. anal.; | 100% |
titanium(IV) isopropylate
HOC(CF3)2CH2N(CH3)(CH2)3N(CH3)CH2C(CF3)2OH
Conditions | Yield |
---|---|
In toluene byproducts: i-PrOH; under Ar; soln. of ligand (1 equiv.) in toluene (-30°C) added dropwise over 5 min under stirring to soln. of Ti compd. in toluene (-30°C); warmed slowly to room temp. over 12 h under stirring; volatiles removed under vac.; washed with pentane; dried in vac.; elem. anal.; | 100% |
titanium(IV) isopropylate
Conditions | Yield |
---|---|
In chloroform byproducts: propan-2-ol; under Ar; Ti(Oi-Pr)4 (3.8 mmol) added dropwise to soln. of dialkanolamine (3.8 mmol) in CHCl3 under stirring; mixt. refluxed for 7 h; oily mixt. of diastereomers obtained; | 100% |
Conditions | Yield |
---|---|
at 180℃; for 48h; Autoclave; | 100% |
Conditions | Yield |
---|---|
In cyclohexane Inert atmosphere; Reflux; | 100% |
In cyclohexane for 0.5h; Schlenk technique; Inert atmosphere; Reflux; | 100% |
Conditions | Yield |
---|---|
In cyclohexane Inert atmosphere; Reflux; | 100% |
In cyclohexane for 0.5h; Schlenk technique; Inert atmosphere; Reflux; | 100% |
Conditions | Yield |
---|---|
In cyclohexane Inert atmosphere; Reflux; | 100% |
In cyclohexane for 0.5h; Schlenk technique; Inert atmosphere; Reflux; | 100% |
Conditions | Yield |
---|---|
In cyclohexane Inert atmosphere; Reflux; | 100% |
In cyclohexane for 0.5h; Schlenk technique; Inert atmosphere; Reflux; | 100% |
Conditions | Yield |
---|---|
In cyclohexane Inert atmosphere; Reflux; | 100% |
In cyclohexane for 0.5h; Schlenk technique; Inert atmosphere; Reflux; | 100% |
Conditions | Yield |
---|---|
In cyclohexane Inert atmosphere; Reflux; | 100% |
In cyclohexane for 0.5h; Schlenk technique; Inert atmosphere; Reflux; | 100% |
titanium(IV) isopropylate
γ-diphenylphosphinopropyl alcohol
C36H46O4P2Ti
Conditions | Yield |
---|---|
In cyclohexane Inert atmosphere; Reflux; | 100% |
In cyclohexane for 0.5h; Schlenk technique; Inert atmosphere; Reflux; | 100% |
titanium(IV) isopropylate
methyl 2-oxo-2-phenylacetate
isopropyl benzoylformate
Conditions | Yield |
---|---|
In toluene at 0 - 20℃; Inert atmosphere; | 100% |
titanium(IV) isopropylate
N,N′-(1,1′-dithiobis(phenylene))bis(salicylideneimine)
[((SC6H4NCHC6H4O)2)Ti(OCH(CH3)2)2]
Conditions | Yield |
---|---|
In chloroform Sonication; (Ar); suspn. of ligand (1 equiv.) in CHCl3 was stirred for 1 min; Ti compd. (1 equiv.) was added; stirred for few sec; sonicated at room temp. for 10 min; evapd. (vac.); elem. anal.; | 100% |
titanium(IV) isopropylate
phthalic anhydride
isopropyl alcohol
Ti2(OiPr)6(μ2-OOCC6H4COOiPr)(η1-OOCC6H4COOiPr)(iPrOH)
Conditions | Yield |
---|---|
In neat (no solvent) Ti(OiPr)4 (3.8 mmol) added to suspn. of phthalic anhydride (3.8 mmol) iniPrOH under Ar, mixt. heated until clear soln. obtained, crystals obtai ned at room temp. within 24 h; detd. by 1H NMR, 13C NMR, IR, XRD; | 100% |
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; for 2h; Inert atmosphere; | 100% |
titanium(IV) isopropylate
C30H20Cl8N2O4Ti
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; for 2h; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
at 20℃; | 100% |
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; for 16h; Reflux; | 100% |
titanium(IV) isopropylate
L-enterobactin
Conditions | Yield |
---|---|
In methanol at 20℃; for 24h; | 100% |
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; for 24h; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; for 24h; Inert atmosphere; | 100% |
The IUPAC name of Titanium tetraisopropanolate is propan-2-olate; titanium(4+). With the CAS registry number 546-68-9, it is also named as Titanium(IV) isopropoxide. The product's categories are Organic-metal salt; Catalysts for Organic Synthesis; Classes of Metal Compounds; Homogeneous Catalysts; Synthetic Organic Chemistry; Ti (Titanium) Compounds; Titanium Alkoxides, etc. (Homogeneous Catalysts); Transition Metal Compounds. And the other registry numbers are 112797-74-7; 118815-04-6; 119651-13-7; 128796-34-9; 131530-94-4; 147809-57-2; 167709-32-2; 176680-01-6; 186518-71-8; 187601-75-8; 195382-13-9; 198699-88-6; 210407-18-4; 216859-04-0; 244173-55-5; 245654-31-3; 255839-65-7; 259264-35-2; 300564-30-1; 310882-94-1; 347859-73-8; 3651-85-2; 366477-01-2; 408306-55-8; 50336-56-6; 505093-57-2; 518050-49-2; 71515-81-6; 73264-97-8; 917485-01-9; 918419-31-5; 94340-28-0. Besides, it is colourless to light yellow liquid, which should be stored in sealed container in cool and dry place. In addition, it is stable, but incompatible with aqueous solutions, strong acids, strong oxidizing agents. It decomposes in the presence of moisture.
The other characteristics of this product can be summarized as: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 0; (4)Exact Mass: 284.146706; (5)MonoIsotopic Mass: 284.146706; (6)Topological Polar Surface Area: 92.2; (7)Heavy Atom Count: 17; (8)Complexity: 10.8; (9)EINECS: 208-909-6; (10)Density: 0.96 g/mL at 20 °C(lit.); (11)Refractive index: 1.4654-1.4684; (12)Flash point: 46 °C; (13)Melting Point: 20 °C; (14)Boiling Point: 220 °C; (15)FreezingPoint 14.8 °C; (16)log P (octanol-water): 1.030; (17)Water solubility: hydrolysis; (18)Atmospheric OH Rate Constant: 4.87E-11 cm3/molecule-sec at 25 °C.
Preparation of Titanium tetraisopropanolate: please put Titanium tetrachloride, Isopropyl alcohol and liquid Ammonia in Toluene to esterize. And then please filter it to clear Ammonium chloride away. At last, you would get this product by distilling.
Uses of Titanium tetraisopropanolate: this chemical can be used as adhesive for the preparation of metal and rubber, metal and plastic. It also can be used as catalyst in ester exchange reaction and polymerization. Besides, it is used as raw materials in pharmaceutical industry.
When you are using this chemical, please be cautious about it as the following: it is highly flammable. Please keep away from sources of ignition. It is also rritating to eyes, respiratory system and skin. Pleas keep container tightly closed in a well-ventilated place. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES:CC(C)O[Ti](OC(C)C)(OC(C)C)OC(C)C
(2)InChI:InChI=1/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4/rC12H28O4Ti/c1-9(2)13-17(14-10(3)4,15-11(5)6)16-12(7)8/h9-12H,1-8H3
(3)InChIKey:VXUYXOFXAQZZMF-MISLEXHXAP
(4)Std. InChI:InChI=1S/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4
(5)Std. InChIKey:VXUYXOFXAQZZMF-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | > 16mL/kg (16mL/kg) | Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. | |
rat | LD50 | oral | 7460uL/kg (7.46mL/kg) | Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. |
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