Conditions | Yield |
---|---|
With phosphotungstic acid at 70℃; for 0.75h; | 95% |
With trifluoromethanesulfonic acid based UiO-67 metal organic framework at 90℃; for 18h; | |
at 120℃; under 22502.3 Torr; for 4h; Equilibrium constant; Temperature; Concentration; Autoclave; |
Conditions | Yield |
---|---|
With phosphotungstic acid at 70℃; for 0.75h; | 95% |
Conditions | Yield |
---|---|
In dichloromethane for 12h; Ambient temperature; | 92% |
Conditions | Yield |
---|---|
In dichloromethane for 3h; Ambient temperature; | 90% |
Conditions | Yield |
---|---|
With [bis({2‐[bis(propan‐2‐yl)phosphanyl]ethyl})amine](borohydride)(carbonyl)(hydride)iron(II); acetone In toluene at 140℃; under 13689.1 Torr; for 4h; Autoclave; Inert atmosphere; | 83% |
phenylacetylene
isopropyl alcohol
A
isopropyl formate
B
isopropyl benzoate
Conditions | Yield |
---|---|
With bis-[(trifluoroacetoxy)iodo]benzene at 60℃; for 15h; Sealed tube; | A n/a B 67% |
Conditions | Yield |
---|---|
With 1H-imidazole for 24h; Ambient temperature; | 62% |
With 1H-imidazole Yield given; |
Conditions | Yield |
---|---|
With hydrogen fluoride; boron trifluoride at 100℃; |
Conditions | Yield |
---|---|
at 200℃; |
diisopropyl pyrocarbonate
isopropyl formate
Conditions | Yield |
---|---|
With pyridine N-oxide In 1,2-dichloro-benzene |
Conditions | Yield |
---|---|
With di-tert-butyl peroxide at 130℃; Product distribution; Rate constant; Mechanism; other temperatures.; |
Triisopropoxymethan
A
propane
B
isopropyl formate
C
bis-2-propyl carbonate
D
acetone
Conditions | Yield |
---|---|
With di-tert-butyl peroxide In chlorobenzene at 140℃; for 4h; Kinetics; Mechanism; Product distribution; various temperatures, rates of formation; |
Conditions | Yield |
---|---|
Thermodynamic data; Mechanism; calculated (BEBO and equibonding method) activation energies for hydrogen atom transfer reaction, anodic formylation; |
N,N-Dimethylformamide Hydrochloride
isopropyl alcohol
A
isopropyl chloride
B
isopropyl formate
Conditions | Yield |
---|---|
at 100℃; for 0.833333h; |
Conditions | Yield |
---|---|
With air; methyl nitrite; nitrogen(II) oxide at 24.85℃; under 740 Torr; Product distribution; Irradiation; |
Conditions | Yield |
---|---|
Geschwindigkeit; |
isobutyraldehyde
A
propene
B
propane
C
isopropyl formate
D
isopropyl alcohol
E
acetone
F
isobutyric Acid
Conditions | Yield |
---|---|
With oxygen; manganese(II) In propionic acid at 45℃; Product distribution; Mechanism; |
isobutyraldehyde
A
isopropyl formate
B
carbon dioxide
C
2-methylperoxypropionic acid
D
isopropyl alcohol
E
acetone
F
isobutyric Acid
Conditions | Yield |
---|---|
With oxygen at 10℃; for 2.66667h; Product distribution; Mechanism; other temperatures 20 and 30 deg C, various reaction time; | A 2.73 % Chromat. B n/a C 4.36 % Chromat. D 0.18 % Chromat. E 0.87 % Chromat. F 78.38 % Chromat. G n/a |
1-isopropoxy-2-methyl-propane
A
isopropyl nitrate
B
isopropyl formate
C
2-methylpropyl acetate
D
acetic acid-(β-hydroxy-isobutyl ester)
E
isobutyraldehyde
F
acetone
Conditions | Yield |
---|---|
With air; methyl nitrite; nitric oxide Product distribution; Rate constant; Mechanism; Ambient temperature; Irradiation; OH radical initiated oxidation of title comp. under laboratory conditions related to troposphere; |
propene
carbon dioxide
A
isopropyl formate
B
isopropyl alcohol
C
acetone
D
methyloxirane
Conditions | Yield |
---|---|
With stainless steel; oxygen; isobutyraldehyde In carbon dioxide at 55℃; under 142514 Torr; for 18h; Epoxidation; Oxidation; Further byproducts.; |
Conditions | Yield |
---|---|
Substitution; |
Conditions | Yield |
---|---|
Conversion of starting material; |
Conditions | Yield |
---|---|
With water; difluoro[4-(trifluoromethyl)phenyl]-λ3-bromane In dichloromethane at 0℃; for 1h; Baeyer-Villiger type oxidation; Inert atmosphere; | 81 %Chromat. |
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃; for 1h; |
carbon dioxide
isopropyl alcohol
A
diisopropoxymethane
B
isopropyl formate
Conditions | Yield |
---|---|
Stage #1: isopropyl alcohol With aluminium(III) triflate; [Ru(1,1,1-tris(diphenylphosphinomethyl)ethane)(trimethylene methane)] for 0.0833333h; Inert atmosphere; Schlenk technique; Stage #2: carbon dioxide With hydrogen at 80℃; under 60006 Torr; for 18h; Catalytic behavior; Schlenk technique; Autoclave; |
carbon dioxide
isopropyl alcohol
A
methanol
B
diisopropoxymethane
C
isopropyl formate
Conditions | Yield |
---|---|
With cobalt(II) tetrafluoroborate hexahydrate; hydrogen; bis(trifluoromethanesulfonyl)amide; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine] In tetrahydrofuran at 80℃; under 15001.5 - 60006 Torr; for 22h; Catalytic behavior; Schlenk technique; Autoclave; |
Conditions | Yield |
---|---|
With cobalt(II) tetrafluoroborate hexahydrate; hydrogen; bis(trifluoromethanesulfonyl)amide; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine] In tetrahydrofuran at 100℃; under 15001.5 - 60006 Torr; for 22h; Catalytic behavior; Schlenk technique; Autoclave; |
carbon monoxide
potassium isopropoxide
isopropyl alcohol
isopropyl formate
Conditions | Yield |
---|---|
at 30℃; under 78307.8 Torr; for 24h; Autoclave; Inert atmosphere; Large scale; | 26800 g |
1,2-butylene carbonate
isopropyl alcohol
A
methanol
B
isopropyl formate
C
1,2-dihydroxybutane
Conditions | Yield |
---|---|
With [bis({2‐[bis(propan‐2‐yl)phosphanyl]ethyl})amine](bromo)(carbonyl)(hydride)iron(II); potassium tert-butylate In tetrahydrofuran at 140℃; Inert atmosphere; Schlenk technique; Green chemistry; |
ethylene glycol monoformate
isopropyl alcohol
A
methanol
B
isopropyl formate
C
ethylene glycol
Conditions | Yield |
---|---|
With [bis({2‐[bis(propan‐2‐yl)phosphanyl]ethyl})amine](bromo)(carbonyl)(hydride)iron(II); potassium tert-butylate In tetrahydrofuran at 140℃; for 3h; Inert atmosphere; Schlenk technique; Green chemistry; | A 62 %Chromat. B 18 %Chromat. C 85 %Chromat. |
Conditions | Yield |
---|---|
In dichloromethane at 0 - 20℃; for 10h; | 94% |
Conditions | Yield |
---|---|
With iron (III) perchlorate monohydrate In neat (no solvent) at 80℃; for 5h; Ritter Amidation; | 90% |
Conditions | Yield |
---|---|
With (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; 4-cyano-1-isopropoxypyridin-1-ium trifluoromethanesulfonate In ethanol; acetonitrile at 20℃; for 1h; Inert atmosphere; Irradiation; | 90% |
isopropyl formate
debenzyldonepezil
Conditions | Yield |
---|---|
Stage #1: debenzyldonepezil With potassium carbonate In methanol; water at 20℃; for 2h; Stage #2: isopropyl formate at 50℃; for 2h; | 88% |
Conditions | Yield |
---|---|
With boron trifluoride In Hexadecane at 110℃; for 8h; Autoclave; | 88% |
Conditions | Yield |
---|---|
With 1-(3-sulfopropyl)pyridinium phosphotungstate In neat (no solvent) at 70℃; for 0.166667h; Microwave irradiation; Sealed tube; Inert atmosphere; | 82% |
Conditions | Yield |
---|---|
In benzene byproducts: CO2; ratio of HCOOCHMe2/trans-Mo(N2)2(dpe)2 10/1, refluxed under nitrogen for 30 min; cooling, addn. of n-hexane, filtered, washed with ether and n-hexane, dried in vac.; | A 7% B 55% C 6% D 2% E 81% |
Conditions | Yield |
---|---|
With titanium tetrachloride; triethylamine In dichloromethane at -40 - 5℃; for 1.16667h; Temperature; Inert atmosphere; stereoselective reaction; | 81% |
Conditions | Yield |
---|---|
With tributyl-amine; titanium tetrachloride In dichloromethane at -78 - 5℃; for 1.16667h; Inert atmosphere; stereoselective reaction; | 81% |
Conditions | Yield |
---|---|
With 1-(3-sulfopropyl)pyridinium phosphotungstate In neat (no solvent) at 70℃; for 0.166667h; Microwave irradiation; Sealed tube; Inert atmosphere; | 78% |
chloro-trimethyl-silane
isopropyl formate
diethyl 3-methylbut-2-enylphosphonate
Conditions | Yield |
---|---|
With hydrogenchloride; lithium diisopropyl amide In tetrahydrofuran at -70℃; | 72% |
isopropyl formate
(methoxycarbonyl)methyl p-toluenesulfonate
Conditions | Yield |
---|---|
With titanium tetrachloride; triethylamine In dichloromethane at -45℃; for 1h; Inert atmosphere; stereoselective reaction; | 72% |
Conditions | Yield |
---|---|
dodecacarbonyl-triangulo-triruthenium; P(C4H9)3 In pyridine at 180℃; for 10h; | 68% |
isopropyl formate
(trifluoromethanesulfonyloxy)acetic acid methyl ester
Conditions | Yield |
---|---|
With titanium tetrachloride; triethylamine In dichloromethane at -78 - 5℃; for 1.16667h; Inert atmosphere; stereoselective reaction; | 65% |
isopropyl formate
p-trifluoromethylphenyl bromide
4-trifluoromethyl-benzoic acid isopropyl ester
Conditions | Yield |
---|---|
Stage #1: p-trifluoromethylphenyl bromide With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Stage #2: isopropyl formate In tetrahydrofuran; hexane at -78℃; for 3h; Stage #3: With iodine; potassium carbonate; isopropyl alcohol In tetrahydrofuran; hexane at -78 - 20℃; for 14h; | 60% |
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) at 130℃; for 12h; Sealed tube; | 51% |
isopropyl formate
N-pivaloyl-piperonylmethylamine
Conditions | Yield |
---|---|
Stage #1: N-pivaloyl-piperonylmethylamine With n-butyllithium In tetrahydrofuran at -78℃; for 0.5h; Inert atmosphere; Stage #2: isopropyl formate In tetrahydrofuran for 0.5h; | 50% |
Conditions | Yield |
---|---|
With titanium tetrachloride; triethylamine In dichloromethane at -40 - 5℃; for 1.16667h; Inert atmosphere; stereoselective reaction; | 50% |
isopropyl formate
(S)-1-tert-butoxycarbonyl-5-methoxycarbonyl-pyrrolidin-2-one
γ-formyl-N-Boc-L-pyroglutamic acid methyl ester
Conditions | Yield |
---|---|
With lithium hexamethyldisilazane In tetrahydrofuran; hexane at -78 - -40℃; | 46% |
Conditions | Yield |
---|---|
With (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; 4-cyano-1-isopropoxypyridin-1-ium trifluoromethanesulfonate In ethanol at 20℃; for 1h; Inert atmosphere; Irradiation; | 45% |
isopropyl formate
N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid
tert-butyl 4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
Conditions | Yield |
---|---|
Stage #1: isopropyl formate; N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid With 4-methyl-morpholine In ethyl acetate at 0 - 20℃; for 12h; Stage #2: With N-hydroxybutyramide In N,N-dimethyl-formamide at 110℃; for 7h; | 39.5% |
isopropyl formate
isopropenylbenzene
isopropyl 3-hydroxy-3-phenyl-propanoate
Conditions | Yield |
---|---|
With potassium dihydrogenphosphate; (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; 4-cyano-1-isopropoxypyridin-1-ium trifluoromethanesulfonate In ethanol; acetonitrile at 20℃; for 1h; Inert atmosphere; Irradiation; | 35% |
Reported in EPA TSCA Inventory.
The Isopropyl formate, with the CAS registry number 625-55-8, is also known as Formic acid, 1-methylethyl ester. It belongs to the product categories of Organics; C2 to C5; Carbonyl Compounds; Esters. Its EINECS registry number is 210-901-2. This chemical's molecular formula is C4H8O2 and molecular weight is 88.1051. Its IUPAC name is called propan-2-yl formate. Isopropyl formate is used as a spice for food and it can also be used as a fungicide, disinfectant and bactericide.
Physical properties of Isopropyl formate: (1)ACD/LogP: 0.65; (2)ACD/LogD (pH 5.5): 0.65; (3)ACD/LogD (pH 7.4): 0.65; (4)ACD/BCF (pH 5.5): 1.82; (5)ACD/BCF (pH 7.4): 1.82; (6)ACD/KOC (pH 5.5): 53.51; (7)ACD/KOC (pH 7.4): 53.51; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.373; (11)Molar Refractivity: 22.47 cm3; (12)Molar Volume: 98.6 cm3; (13)Surface Tension: 23.5 dyne/cm; (14)Density: 0.893 g/cm3; (15)Enthalpy of Vaporization: 31.23 kJ/mol; (16)Boiling Point: 70.8 °C at 760 mmHg; (17)Vapour Pressure: 127 mmHg at 25°C.
Preparation of Isopropyl formate: this chemical can be prepared by propan-2-ol and formyloxy-acetonitrile. This reaction will need reagent imidazole. The reaction time is 1 day with ambient temperature. The yield is about 62%.
Uses of Isopropyl formate: it can be used to produce propan-2-ol at temperature of 180 °C. This reaction will need catalyst Ru3(CO)12/P(C4H9)3 and solvent pyridine with reaction time of 10 hours. The yield is about 68%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. You should keep it away from sources of ignition - No smoking. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)OC=O
(2)InChI: InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3
(3)InChIKey: RMOUBSOVHSONPZ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | oral | 1400ug/kg (1.4mg/kg) | "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 4, Pg. 256, 1969. |
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