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Chloromethyl isopropyl carbonate

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Name

Chloromethyl isopropyl carbonate

EINECS 1308068-626-2
CAS No. 35180-01-9 Density 1.15 g/cm3
PSA 35.53000 LogP 1.74430
Solubility N/A Melting Point N/A
Formula C5H9ClO3 Boiling Point 147.5 °C at 760 mmHg
Molecular Weight 152.578 Flash Point 50 °C
Transport Information N/A Appearance Colorless and transparent liquid
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 35180-01-9 (Chloromethyl isopropyl carbonate) Hazard Symbols N/A
Synonyms

Chloromethyl1-methylethyl carbonate;Isopropoxycarbonyloxymethyl chloride;Isopropyl chloromethyl carbonate;[(Isopropyloxycarbonyl)oxy]methyl chloride;

Article Data 26

Chloromethyl isopropyl carbonate Synthetic route

22128-62-7

carbonochloridic acid, chloromethyl ester

67-63-0

isopropyl alcohol

35180-01-9

chloromethyl isopropyl carbonate

Conditions
ConditionsYield
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%
50-00-0

formaldehyd

108-23-6

isopropyl chloroformate

35180-01-9

chloromethyl isopropyl carbonate

Conditions
ConditionsYield
With 1-ethyl-3-methylimidazolium tetrafluoroborate In toluene at 10℃; Reagent/catalyst; Solvent; Temperature;95%
30566-31-5

chloromethyl formate

67-63-0

isopropyl alcohol

35180-01-9

chloromethyl isopropyl carbonate

35180-01-9

chloromethyl isopropyl carbonate

258841-42-8

isopropyloxycarbonyloxymethyl iodide

Conditions
ConditionsYield
With sodium iodide In acetonitrile at 60℃; for 3h;99%
With sodium hydrogencarbonate; sodium iodide In acetone92%
With sodium iodide In acetonitrile at 30℃; for 22h; Inert atmosphere;91.5%
35180-01-9

chloromethyl isopropyl carbonate

(3S)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)-2-oxochromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid

isopropoxycarbonyloxymethyl (3S)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)-2-oxochromen-7-yl]oxypropanoyl]piperidine-3-carboxylate

Conditions
ConditionsYield
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
ConditionsYield
With sodium hydride In N,N-dimethyl-formamide92%
35180-01-9

chloromethyl isopropyl carbonate

147127-20-6

tenofovir

tenofovir disoproxil

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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%

R-361015

35180-01-9

chloromethyl isopropyl carbonate

C21H26ClNO7S

Conditions
ConditionsYield
With thionyl chloride at 80℃; for 4h;87%

Chloromethyl isopropyl carbonate 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

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