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 formate
isopropyl alcohol
chloromethyl isopropyl carbonate
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% |
chloromethyl isopropyl carbonate
benzylamine
isopropyl N-benzylcarbamate
Conditions | Yield |
---|---|
In benzene a.) RT, 1 h, b.) reflux, 1 h; | 85.4% |
Conditions | Yield |
---|---|
With triethylamine In 1-methyl-pyrrolidin-2-one; ethanol at 20 - 55℃; for 6h; | 85.4% |
chloromethyl isopropyl carbonate
1-[(2'-t-butoxycarbonylbiphenyl-4-yl)methyl]-4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylic acid
isopropoxycarbonyloxymethyl 1-[(2'-t-butoxycarbonylbiphenyl-4-yl)methyl]-4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5carboxylate
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl acetamide at 20 - 50℃; for 3h; | 85% |
chloromethyl isopropyl carbonate
Conditions | Yield |
---|---|
Stage #1: 5-((4'-isopropyl-[1,1'-biphenyl]-4-yl)oxy)-1-(4-methoxybenzyl)-1H-1,2,3-triazole-4-carboxylic acid With potassium carbonate In N,N-dimethyl acetamide at 20℃; for 0.5h; Stage #2: chloromethyl isopropyl carbonate In N,N-dimethyl acetamide at 50℃; for 6h; | 84.1% |
chloromethyl isopropyl carbonate
Conditions | Yield |
---|---|
With potassium carbonate; sodium iodide In N,N-dimethyl-formamide at 80℃; for 0.333333h; Microwave irradiation; | 83% |
chloromethyl isopropyl carbonate
Conditions | Yield |
---|---|
With potassium carbonate; sodium iodide In N,N-dimethyl-formamide at 80℃; for 0.333333h; Microwave irradiation; | 80% |
chloromethyl isopropyl carbonate
Conditions | Yield |
---|---|
With caesium carbonate In N,N-dimethyl-formamide at 20℃; | 80% |
With caesium carbonate In N,N-dimethyl-formamide at 20℃; | 80% |
chloromethyl isopropyl carbonate
Conditions | Yield |
---|---|
With potassium carbonate; sodium iodide In N,N-dimethyl-formamide at 80℃; for 0.333333h; Microwave irradiation; | 76% |
chloromethyl isopropyl carbonate
(1S,2R,3S,4S,5R,6R)-2-[(tert-butoxycarbonyl)amino]-3-[(3,4-dichlorobenzyl)oxy]-4-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid
bis({[(1-methylethoxy)carbonyl]oxy}methyl) (1S,2R,3S,4S,5R,6R)-2-[(tert-butoxycarbonyl)amino]-3-[(3,4-dichlorobenzyl)oxy]-4-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylate
Conditions | Yield |
---|---|
With potassium carbonate; sodium iodide In N,N-dimethyl-formamide for 18h; Product distribution / selectivity; | 76% |
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide at 20 - 40℃; for 12h; Temperature; | 76% |
chloromethyl isopropyl carbonate
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide at 45 - 50℃; for 1h; | 75.6% |
allylphosphonic acid dimethyl ester
chloromethyl isopropyl carbonate
bis-POC-allylphosphonate
Conditions | Yield |
---|---|
With sodium iodide In acetonitrile for 72h; Inert atmosphere; Reflux; | 75% |
With sodium iodide In acetonitrile for 48h; Reflux; Inert atmosphere; | 5.75 g |
formic acid
4-((6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido-[3’,4’:4,5]-pyrrolo[1,2,3-de]quinoxalin-8-(7H)-yl)-1-(4-fluorophenyl)-1-butanone
chloromethyl isopropyl carbonate
Conditions | Yield |
---|---|
Stage #1: 4-((6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido-[3’,4’:4,5]-pyrrolo[1,2,3-de]quinoxalin-8-(7H)-yl)-1-(4-fluorophenyl)-1-butanone; chloromethyl isopropyl carbonate With sodium iodide In acetonitrile at 20℃; for 168h; Stage #2: formic acid In water; acetonitrile for 0.366667h; | 75% |
chloromethyl isopropyl carbonate
{[(4-methylbenzenesulfonyl)oxy]methyl}phosphonic acid
Conditions | Yield |
---|---|
Stage #1: tosyloxymethylphosphonic acid monoethyl ester With triethylamine In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: chloromethyl isopropyl carbonate In N,N-dimethyl-d6-formamide at 60℃; for 5h; Solvent; Reagent/catalyst; | 75% |
3-tert-Butyl-4-hydroxyanisole
chloromethyl isopropyl carbonate
Conditions | Yield |
---|---|
Stage #1: 3-tert-Butyl-4-hydroxyanisole With sodium hydride In tetrahydrofuran for 0.5h; Stage #2: chloromethyl isopropyl carbonate In tetrahydrofuran at 20℃; for 24h; | 75% |
chloromethyl isopropyl carbonate
Conditions | Yield |
---|---|
Stage #1: C17H25O7P With potassium carbonate; sodium iodide In acetonitrile at 20℃; for 0.25h; Stage #2: chloromethyl isopropyl carbonate In acetonitrile at 50℃; | 72% |
chloromethyl isopropyl carbonate
6-chloro-7-methoxy-2-methyl-3-(4-(4-(trifluoromethoxy)phenoxy)phenyl)quinolin-4(1H)-one
Conditions | Yield |
---|---|
With tetra-(n-butyl)ammonium iodide; potassium carbonate In N,N-dimethyl-formamide at 60℃; for 2h; Inert atmosphere; | 72% |
With tetra-(n-butyl)ammonium iodide; potassium carbonate In N,N-dimethyl-formamide at 60℃; |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 3h; | 70.5% |
chloromethyl isopropyl carbonate
Conditions | Yield |
---|---|
With potassium carbonate; sodium iodide In N,N-dimethyl-formamide at 80℃; for 0.5h; Microwave irradiation; | 70% |
chloromethyl isopropyl carbonate
(1S,2R,3S,4S,5R,6R)-2-[(tert-butoxycarbonyl)amino]-3-{[(3,4-difluorophenyl)sulfanyl]methyl}-4-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid
bis({[(1-methylethoxy)carbonyl]oxy}methyl) (1S,2R,3S,4S,5R,6R)-2-[(tert-butoxycarbonyl)amino]-3-{[(3,4-difluorophenyl)sulfanyl]methyl}-4-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylate
Conditions | Yield |
---|---|
With potassium carbonate; sodium iodide In N,N-dimethyl-formamide at 25℃; for 12h; Product distribution / selectivity; Inert atmosphere; | 70% |
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
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