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| CAS No.: | 35180-01-9 |
|---|---|
| Name: | Chloromethyl isopropyl carbonate |
| Article Data: | 26 |
| Molecular Structure: | |
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| Formula: | C5H9ClO3 |
| Molecular Weight: | 152.578 |
| Synonyms: | Chloromethyl1-methylethyl carbonate;Isopropoxycarbonyloxymethyl chloride;Isopropyl chloromethyl carbonate;[(Isopropyloxycarbonyl)oxy]methyl chloride; |
| EINECS: | 1308068-626-2 |
| Density: | 1.15 g/cm3 |
| Boiling Point: | 147.5 °C at 760 mmHg |
| Flash Point: | 50 °C |
| Appearance: | Colorless and transparent liquid |
| Safety: | 24/25 |
| PSA: | 35.53000 |
| LogP: | 1.74430 |
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carbonochloridic acid, chloromethyl ester
- 67-63-0
isopropyl alcohol
- 35180-01-9
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% |
- 35180-01-9
chloromethyl isopropyl carbonate
- 258841-42-8
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% |
- 35180-01-9
chloromethyl isopropyl carbonate
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 0.5h; | 93% |
- 1097628-00-6
3-[[3-ethyl-1,2,3,6-tetrahydro-5-(1-methylethyl)-2,6-dioxo-4-pyrimidinyl]carbonyl]-5-methylbenzonitrile
- 35180-01-9
chloromethyl isopropyl carbonate
- 1099828-46-2
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% |
- 35180-01-9
chloromethyl isopropyl carbonate
- 1258789-65-9
1-[3-[allyl(methoxy)phosphoryl]oxypropoxy]hexadecane
- 1258789-66-0
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; |
- 35180-01-9
chloromethyl isopropyl carbonate
- 110-17-8
(2E)-but-2-enedioic acid
- 147127-20-6
tenofovir
- 202138-50-9
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% |
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Specification
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