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99464-83-2

Basic Information
CAS No.: 99464-83-2
Name: 1-Chloroethyl cyclohexyl carbonate
Article Data: 21
Molecular Structure:
Molecular Structure of 99464-83-2 (1-Chloroethyl cyclohexyl carbonate)
Formula: C9H15ClO3
Molecular Weight: 206.669
Synonyms: 1-Chloroethyl Cyclohexyl Carbonate (JCC-2);Intermediate of Candesartan Cilexetil;1-Chloroethyl Cyclohexyl Carbonate (Intermediate of Candesartan Cilexetil);1-Chloro Ethyl Cyclohexyl Carbonate;Cyclohexyl-(1-chloroethyl)-carbonate;
EINECS: 444-950-8
Density: 1.13 g/cm3
Boiling Point: 283.9 °C at 760 mmHg
Flash Point: 115.6 °C
Appearance: Colorless and transparent liquid
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 35.53000
LogP: 3.05710
Synthetic route
50893-53-3

carbonochloridic acid 1-chloro-ethyl ester

108-93-0

cyclohexanol

99464-83-2

1-chloroethyl cyclohexyl carbonate

Conditions
ConditionsYield
With pyridine In dichloromethane at 0 - 20℃;94%
With pyridine In dichloromethane at 0 - 20℃; Inert atmosphere;94%
With pyridine In dichloromethane at -78℃;80%
123-63-7

paracetaldehyde

108-93-0

cyclohexanol

503-38-8

trichloromethyl chloroformate

99464-83-2

1-chloroethyl cyclohexyl carbonate

Conditions
ConditionsYield
Stage #1: paracetaldehyde; trichloromethyl chloroformate With pyridine at -10 - 0℃; for 8h;
Stage #2: cyclohexanol With pyridine at 20℃; for 3h; Reagent/catalyst; Temperature;
93%
75-07-0

acetaldehyde

13248-54-9

cyclohexyl chloroformate

99464-83-2

1-chloroethyl cyclohexyl carbonate

Conditions
ConditionsYield
With zinc(II) chloride
139481-72-4

2-Ethoxy-1-[[2'-(N-triphenylmethyltetrazol-5-yl)-biphenyl-4-yl]methyl]benzimidazole-7-carboxylic acid

99464-83-2

1-chloroethyl cyclohexyl carbonate

170791-09-0

cilexetil trityl candesartan

Conditions
ConditionsYield
With N-benzyl-N,N,N-triethylammonium chloride; potassium carbonate In tetrahydrofuran at 20 - 65℃; for 6h; Product distribution / selectivity;100%
With potassium carbonate In ISOPROPYLAMIDE at 60℃; for 4h;98%
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 4h; Temperature; Flow reactor; Alkaline conditions; Large scale;96%

1-({4-[2-(1-benzyl-1H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-2-ethoxy-1H-1,3-benzodiazole-7-carboxylic acid

99464-83-2

1-chloroethyl cyclohexyl carbonate

1307853-85-5

1-{[(cyclohexyloxy)carbonyl]oxy}ethyl 1-({4-[2-(1-benzyl-1H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-2-ethoxy-1H-1,3-benzodiazole-7-carboxylate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 65℃; for 4h;100%
With potassium carbonate In N,N-dimethyl-formamide at 65℃; for 4h; Time; Temperature;100%
With potassium carbonate In N,N-dimethyl-formamide at 60 - 65℃; for 2 - 3h;
632322-61-3

1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylic acid

99464-83-2

1-chloroethyl cyclohexyl carbonate

632322-62-4

2-ethoxy-1-[(2'-cyanobiphenyl-4-yl)methyl]-1H-benzimidazole-7-carboxylicacid-1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester

Conditions
ConditionsYield
Reflux;97.43%
With potassium carbonate In N,N-dimethyl acetamide at 60℃; for 3h; Product distribution / selectivity;64%
1621527-49-8

(R)-3-((tert-butoxycarbonyl)amino)-4-(5'-chloro-2'-fluoro-[1,1-biphenyl]-4-yl)butanoic acid

99464-83-2

1-chloroethyl cyclohexyl carbonate

(1S,3R)-1-(((cyclohexyloxy)carbonyl)oxy)ethyl 3-((tert-butoxycarbonyl)amino)-4-(5'-chloro-2'-fluoro-[1,1'-biphenyl]-4-yl)butanoate

Conditions
ConditionsYield
With caesium carbonate In N,N-dimethyl-formamide at 0 - 23℃; for 22.5h; Cooling with ice;97%
761404-85-7

4-(1-hydroxy-1-methylethyl)-2-propyl-1-(4-(2-(1-(triphenylmethyl)tetrazol-5-yl)phenyl)phenyl)methylimidazole-5-carboxylic acid

99464-83-2

1-chloroethyl cyclohexyl carbonate

1337980-10-5

1-{[(cyclohexyloxy)carbonyl]oxy}ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-({2'-[1-(triphenylmethyl)-1H-1,2,3,4-tetrazol-5-yl]-[1,1'-biphenyl]-4-yl}methyl)-1H-imidazole-5-carboxylate

Conditions
ConditionsYield
With potassium carbonate; potassium iodide In N,N-dimethyl acetamide at 70℃; for 2h;95%

C31H26N6O3*C12H23N

99464-83-2

1-chloroethyl cyclohexyl carbonate

1307853-85-5

1-{[(cyclohexyloxy)carbonyl]oxy}ethyl 1-({4-[2-(1-benzyl-1H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-2-ethoxy-1H-1,3-benzodiazole-7-carboxylate

Conditions
ConditionsYield
With potassium carbonate94%
1307853-76-4

C32H28N6O4

99464-83-2

1-chloroethyl cyclohexyl carbonate

1307853-79-7

C41H42N6O7

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 65℃; for 4h;93%
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  • 1-chloroethylcyclohexyl carbonate CAS NO.99464-83-2

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    1-chloroethylcyclohexyl carbonate CAS NO.99464-83-2

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    1-Chloroethyl Cyclohexyl Carbonate (JCC-2)

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    1-Chloroethyl cyclohexyl carbonate

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    Product name: 1-Chloroethyl Cyclohexyl Carbonate CAS No.: 99464-83-2 Molecule Formula:C9H15ClO3 Molecule Weight:206.67 Purity: 99.0% Package: 25kg/drum Description:White or off-white powder Manufacture Standards:Enterprise Standard

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    1-Chloroethyl cyclohexyl carbonate

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Chemistry

Empirical Formula: C9H15ClO3
Molecular Weight: 206.6666g/mol
Structure of 1-Chloroethyl cyclohexyl carbonate (CAS NO.99464-83-2):

Index of Refraction: 1.464
Molar Refractivity: 50.05 cm3
Molar Volume: 181.3 cm3
Polarizability: 19.84×10-24cm3
Surface Tension: 35.1 dyne/cm
Density: 1.13 g/cm3
Flash Point: 115.6 °C
Enthalpy of Vaporization: 52.29 kJ/mol
Boiling Point: 283.9 °C at 760 mmHg
Vapour Pressure: 0.00307 mmHg at 25°C 
Product Categories: CARBONATES;INTERMEDIATESOF;(intermediate of candesartan cilexetil);Intermediates of Candesartan;Candesartan Cilexatil

Safety Profile

Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.

Specification

  1-Chloroethyl cyclohexyl carbonate ,  its cas register number is 99464-83-2. It also can be called Carbonic acid, 1-chloroethyl cyclohexyl ester .