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carbonochloridic acid, chloromethyl ester
isopropyl alcohol
chloromethyl isopropyl carbonate
Conditions | Yield |
---|---|
With triethylamine at 0℃; | 98% |
With pyridine In diethyl ether; isopropyl alcohol at 10℃; for 18h; Cooling; | 95% |
With pyridine In diethyl ether at 0 - 20℃; | 92% |
Conditions | Yield |
---|---|
With 1-ethyl-3-methylimidazolium tetrafluoroborate In toluene at 10℃; Reagent/catalyst; Solvent; Temperature; | 95% |
chloromethyl isopropyl carbonate
isopropyloxycarbonyloxymethyl iodide
Conditions | Yield |
---|---|
With sodium iodide In acetonitrile at 60℃; for 3h; | 99% |
With sodium hydrogencarbonate; sodium iodide In acetone | 92% |
With sodium iodide In acetonitrile at 30℃; for 22h; Inert atmosphere; | 91.5% |
chloromethyl isopropyl carbonate
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 0.5h; | 93% |
3-[[3-ethyl-1,2,3,6-tetrahydro-5-(1-methylethyl)-2,6-dioxo-4-pyrimidinyl]carbonyl]-5-methylbenzonitrile
chloromethyl isopropyl carbonate
C23H27N3O6
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide | 92% |
Conditions | Yield |
---|---|
With tetrabutylammomium bromide; triethylamine In 1-methyl-pyrrolidin-2-one at 50℃; Temperature; | 91.5% |
With triethylamine; N-butylpyridinium tetrafluoroborate at 40℃; for 1.5h; Reagent/catalyst; Temperature; | 90.6% |
Stage #1: tenofovir With tetrabutylammomium bromide; triethylamine In 1-methyl-pyrrolidin-2-one at 50℃; for 0.5h; Stage #2: chloromethyl isopropyl carbonate In 1-methyl-pyrrolidin-2-one at 60℃; for 4h; Reagent/catalyst; Solvent; | 87.6% |
chloromethyl isopropyl carbonate
1-[3-[allyl(methoxy)phosphoryl]oxypropoxy]hexadecane
HDP-POC allylphosphonate
Conditions | Yield |
---|---|
With sodium iodide In acetonitrile for 72h; Reflux; Inert atmosphere; | 91% |
With sodium iodide In acetonitrile for 72h; Reflux; Inert atmosphere; |
chloromethyl isopropyl carbonate
(2E)-but-2-enedioic acid
tenofovir
tenofovir disoproxyl fumarate
Conditions | Yield |
---|---|
Stage #1: tenofovir With triethylamine In 1-methyl-pyrrolidin-2-one at 63℃; for 0.5h; Stage #2: chloromethyl isopropyl carbonate In 1-methyl-pyrrolidin-2-one at 63℃; for 4h; Stage #3: (2E)-but-2-enedioic acid In isopropyl alcohol at 50℃; for 0.5h; Concentration; | 90% |
Stage #1: chloromethyl isopropyl carbonate; tenofovir With tetrabutylammomium bromide; triethylamine at 50℃; for 3h; Inert atmosphere; Stage #2: (2E)-but-2-enedioic acid In isopropyl alcohol Reagent/catalyst; Temperature; Reflux; | 78.8% |
Stage #1: chloromethyl isopropyl carbonate; tenofovir With tetrabutylammomium bromide; triethylamine In 1-methyl-pyrrolidin-2-one; toluene at 45 - 55℃; for 5h; Stage #2: (2E)-but-2-enedioic acid In isopropyl alcohol at 50 - 55℃; for 2h; | 63.6% |
Conditions | Yield |
---|---|
With thionyl chloride at 80℃; for 4h; | 87% |
The Chloromethyl isopropyl carbonate, with the CAS registry number 35180-01-9, is also known as Chloromethyl (1-methylethyl) carbonate. It belongs to the product category of Pharmaceutical Intermediates. This chemical's molecular formula is C5H9ClO3 and molecular weight is 152.58. Its IUPAC name is called chloromethyl propan-2-yl carbonate. What's more, this chemical is used as intermediates in organic synthesis.
Physical properties of Chloromethyl isopropyl carbonate: (1)ACD/LogP: 1.32; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 5; (6)ACD/KOC (pH 5.5): 115; (7)ACD/KOC (pH 7.4): 115; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.42; (11)Molar Refractivity: 33.541 cm3; (12)Molar Volume: 132.675 cm3; (13)Surface Tension: 30.309 dyne/cm; (14)Density: 1.15 g/cm3; (15)Flash Point: 49.952 °C; (16)Enthalpy of Vaporization: 38.444 kJ/mol; (17)Boiling Point: 147.463 °C at 760 mmHg; (18)Vapour Pressure: 4.419 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)OC(=O)OCCl
(2)InChI: InChI=1S/C5H9ClO3/c1-4(2)9-5(7)8-3-6/h4H,3H2,1-2H3
(3)InChIKey: JHYNXXBAHWPABC-UHFFFAOYSA-N