1-Chloroethyl cyclohexyl carbonate supplier

Name
1-Chloroethyl cyclohexyl carbonate
EINECS 444-950-8
CAS No. 99464-83-2
Article Data21
CAS DataBase
Density 1.13 g/cm³
Solubility
Melting Point
Formula C₉H₁₅ClO₃
Boiling Point 283.9 °C at 760 mmHg
Molecular Weight 206.669
Flash Point 115.6 °C
Transport Information
Appearance Colorless and transparent liquid
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
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;
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

Conditions	Yield
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

Conditions	Yield
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%

...Expand

: 75-07-0
acetaldehyde

: 13248-54-9
cyclohexyl chloroformate

: 99464-83-2
1-chloroethyl cyclohexyl carbonate

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With potassium carbonate	94%

: 1307853-76-4
C32H28N6O4

: 99464-83-2
1-chloroethyl cyclohexyl carbonate

: 1307853-79-7
C41H42N6O7

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 65℃; for 4h;	93%

: 99464-83-2
1-chloroethyl cyclohexyl carbonate

: 100986-85-4
levofloxacin

: levofloxacin cilexetil ester

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 2h; Inert atmosphere;	89.3%

: 161715-21-5
(4R,5S,6S)-3-{[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

: 99464-83-2
1-chloroethyl cyclohexyl carbonate

: 3-[1-(4,5-dihydro-thiazol-2-yl)-azetidin-3-ylsulfanyl]-6-(1-hydroxy-ethyl)-4-methyl-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid 1-cyclohexyloxycarbonyloxy-ethyl ester

Conditions

Conditions	Yield
With N-benzyl-N,N,N-triethylammonium chloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 45℃; for 4h;	82%

: 854538-90-2
1-(4-bromobenzyl)-2-ethoxy-benzoimidazole-7-carboxylic acid

: 99464-83-2
1-chloroethyl cyclohexyl carbonate

: 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl 1-(4-bromobenzyl)-2-ethoxy-1H-benzimidazole-7-carboxylate

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In 1,2-dimethoxyethane at 60 - 70℃; for 10h;	79%

: 99464-83-2
1-chloroethyl cyclohexyl carbonate

: 60846-23-3
cefotaxime sodium salt

: 1-(cyclohexyloxycarbonyloxy)ethyl 7β-<2-(2-aminothiazol-4-yl)-(Z)-2-methoxyiminoacetamido>-3-acetoxymethyl-3-cephem-4-carboxylate

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate In N,N-dimethyl-formamide for 24h;	78%

: 99464-83-2
1-chloroethyl cyclohexyl carbonate

: ammonium thiocyanate

A: 117972-03-9
cyclohexyl 1-thiocyanoethylcarbonate

B: 117972-11-9
cyclohexyl 1-isothiocyanoethylcarbonate

Conditions

Conditions	Yield
With tetrabutyl phosphonium bromide In acetone for 14h; Heating;	A 75% B 25%

...Expand

: 1239349-14-4
2-bromo-3-(ethoxy(1-(2'-(1-trityl-1H-tetrazol-5-yl)bi-phenyl-4-yl)methylamino)methyleneamino)benzoic acid

: 99464-83-2
1-chloroethyl cyclohexyl carbonate

: 1239349-15-5
1-(cyclohexyloxycarbonyloxy)ethyl 2-bromo-3-(ethoxy(1-(2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)methylamino)methyleneamino)benzoate

Conditions

Conditions	Yield
Stage #1: 2-bromo-3-(ethoxy(1-(2'-(1-trityl-1H-tetrazol-5-yl)bi-phenyl-4-yl)methylamino)methyleneamino)benzoic acid With sodium hydroxide In N,N-dimethyl-formamide at 20℃; Stage #2: 1-chloroethyl cyclohexyl carbonate In N,N-dimethyl-formamide at 70℃; for 8h;	75%

: 144690-04-0
4-(1-hydroxy-1-methylethyl)-2-propyl imidazole-5-carboxylic acid

: 99464-83-2
1-chloroethyl cyclohexyl carbonate

: 1-ethylcyclohexylcarbonyl-4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate

Conditions

Conditions	Yield
Stage #1: 4-(1-hydroxy-1-methylethyl)-2-propyl imidazole-5-carboxylic acid With N-ethyl-N,N-diisopropylamine In N,N-dimethyl acetamide at 20℃; for 0.25h; Stage #2: 1-chloroethyl cyclohexyl carbonate In N,N-dimethyl acetamide at 60℃;	71%

: 1239349-13-3
methyl 2-bromo-3-(ethoxy(1-(2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)methylamino)methyleneamino)benzoate

: 99464-83-2
1-chloroethyl cyclohexyl carbonate

: 1239349-15-5
1-(cyclohexyloxycarbonyloxy)ethyl 2-bromo-3-(ethoxy(1-(2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)methylamino)methyleneamino)benzoate

Conditions

Conditions	Yield
Stage #1: methyl 2-bromo-3-(ethoxy(1-(2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)methylamino)methyleneamino)benzoate With sodium hydroxide In N,N-dimethyl-formamide at 20℃; for 5h; Stage #2: 1-chloroethyl cyclohexyl carbonate In N,N-dimethyl-formamide at 70℃; for 8h;	70%

: 1174039-19-0
(R)-7-[3-tertbutoxycarbonylamino-4-(2,4,5-tri-fluorophenyl)butyryl]-3-trifluoromethyl-5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine-1-carboxylic acid

: 99464-83-2
1-chloroethyl cyclohexyl carbonate

: (R)-7-[3-amino-4-(2,4,5-trifluorophenyl)butyryl]-3-trifluoromethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylic acid (1-cyclohexyloxycarbonyloxy) ethyl ester

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 65℃; for 2h; In a sealed tube;	69.4%

: 2-[2-methyl-1-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-yl]acetic acid

: 99464-83-2
1-chloroethyl cyclohexyl carbonate

: C28H31F3N2O7S

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 50 - 60℃; for 6h;	69.1%

: 99464-83-2
1-chloroethyl cyclohexyl carbonate

: 95789-69-8, 102672-57-1
cyclohexyl (1-iodoethyl)carbonate

Conditions

Conditions	Yield
With sodium iodide In acetonitrile at 50℃; for 5.5h;	69%
With sodium iodide In acetonitrile at 50℃; for 5.5h;	69%
With sodium iodide In acetonitrile at 60℃; for 1.5h;	40%

: 1382326-14-8
Cbz-D-Glu(D-Trp-OH)-O-Et

: 99464-83-2
1-chloroethyl cyclohexyl carbonate

: 1401719-90-1
Cbz-D-Glu(D-Trp-O-CH(CH3)-O-CO-O-cyclohexyl)-O-Et

Conditions

Conditions	Yield
With potassium carbonate; sodium iodide In N,N-dimethyl-formamide at 20 - 40℃;	66%

: 99464-83-2
1-chloroethyl cyclohexyl carbonate

: 626-62-0
1-iodocyclohexane

Conditions

Conditions	Yield
With sodium iodide 1.) acetone, 56 deg C, 10 h, 2.) toluene, 100 deg C, 35 h; var.: LiI, KI or MgI2;	65%

: 2-ethoxy-1-((2'-(5-oxo-2-trityl-2,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylic acid

: 99464-83-2
1-chloroethyl cyclohexyl carbonate

: 1-(((cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate

Conditions

Conditions	Yield
Stage #1: 2-ethoxy-1-((2'-(5-oxo-2-trityl-2,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylic acid; 1-chloroethyl cyclohexyl carbonate With sodium hydrogencarbonate In N,N-dimethyl-formamide at 70℃; Stage #2: With trifluoroacetic acid In dichloromethane at 20℃; for 3h; Cooling with ice;	60%

: (S,S)-4-[2-benzyloxycarbonylamino-3-(4-methoxyphenyl)propionyl]-3-(3-benzyloxycarbonylaminopropyl)-2-oxopiperazine-1-acetic acid

: (S,S)-[4-[2-benzyloxycarbonylamino-3-(4-methoxyphenyl)propionyl]-3-(3-benzyloxycarbonylaminopropyl)-2-oxopiperazin-1-yl]acetic acid

: 99464-83-2
1-chloroethyl cyclohexyl carbonate

: 189365-94-4
(S,S)-[4-[2-benzyloxycarbonylamino-3-(4-methoxyphenyl)propionyl]-3-(3-benzyloxycarbonylaminopropyl)-2-oxopiperazin-1-yl]acetic acid 1-cyclohexyloxycarbonyloxy ethyl ester

Conditions

Conditions	Yield
With potassium iodide; triethylamine In ethyl acetate; N,N-dimethyl-formamide	59%

...Expand

: (S,S)-4-[2-benzyloxycarbonylamino-3-(4-methoxyphenyl)propionyl]-3-(3-benzyloxycarbonylaminopropyl)-2-oxopiperazine-1-acetic acid

(S,S)-›4-[2-benzyloxycarbonylamino-3-(4-methoxyphenyl)propionyl)-3-(3-benzyloxycarbonylaminopropyl)-2-oxopiperazin-1-yl]acetic acid: (S,S)-›4-[2-benzyloxycarbonylamino-3-(4-methoxyphenyl)propionyl)-3-(3-benzyloxycarbonylaminopropyl)-2-oxopiperazin-1-yl]acetic acid

: 99464-83-2
1-chloroethyl cyclohexyl carbonate

: 189365-94-4
(S,S)-[4-[2-benzyloxycarbonylamino-3-(4-methoxyphenyl)propionyl]-3-(3-benzyloxycarbonylaminopropyl)-2-oxopiperazin-1-yl]acetic acid 1-cyclohexyloxycarbonyloxy ethyl ester

Conditions

Conditions	Yield
With potassium iodide; triethylamine In N,N-dimethyl-formamide	59%

...Expand

: potassium 2-butyl-5-dimethylaminothiocarbonylmethyl-6-methyl-3-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]pyrimidin-4-(3H)-one

: 99464-83-2
1-chloroethyl cyclohexyl carbonate

: 1-(5-(4'-((2-butyl-5-(2-(dimethylamino)-2-thioxoethyl)-4-methyl-6-oxopyrimidin-1(6H)-yl)methyl)-[1,1'-biphenyl]-2-yl)-2H-tetrazol-2-yl)ethyl cyclohexyl carbonate

Conditions

Conditions	Yield
With potassium iodide In N,N-dimethyl-formamide at 20℃;	59%

: 1415043-08-1
(3-{2-[(4-Fluorophenyl)sulfonyl]benzyl}-2-methyl-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-1-yl)acetic acid

: 99464-83-2
1-chloroethyl cyclohexyl carbonate

: 1415043-84-3
1-{[(Cyclohexyloxy)carbonyl]oxy}ethyl (3-{2-[(4-fluorophenyl)sulfonyl]benzyl}-2-methyl-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-1-yl)acetate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃;	58%

: 99464-83-2
1-chloroethyl cyclohexyl carbonate

: 61070-20-0
Nα-(tert-butoxycarbony1)- Nτ-methyl-L-histidine

: Nα-tert-butoxycarbonyl-Nϖ-methyl-L-histidine 1-(cyclohexyloxycarbonyloxy)ethyl ester

Conditions

Conditions	Yield
Stage #1: Nα-(tert-butoxycarbony1)- Nτ-methyl-L-histidine With potassium carbonate In N,N-dimethyl-formamide at 0 - 20℃; Stage #2: 1-chloroethyl cyclohexyl carbonate In N,N-dimethyl-formamide at 0 - 20℃;	53%

: 15761-38-3
L-N-Boc-Ala

: 99464-83-2
1-chloroethyl cyclohexyl carbonate

: C17H29NO7

Conditions

Conditions	Yield
Stage #1: L-N-Boc-Ala With potassium carbonate In N,N-dimethyl-formamide at 0 - 20℃; for 0.5h; Inert atmosphere; Stage #2: 1-chloroethyl cyclohexyl carbonate In N,N-dimethyl-formamide at 0 - 20℃;	53%

1-Chloroethyl cyclohexyl carbonate Chemical Properties

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

1-Chloroethyl cyclohexyl carbonate 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.

1-Chloroethyl cyclohexyl carbonate Specification

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

Product Name

1-Chloroethyl cyclohexyl carbonate

Synthetic route

1-Chloroethyl cyclohexyl carbonate Chemical Properties

1-Chloroethyl cyclohexyl carbonate Safety Profile

1-Chloroethyl cyclohexyl carbonate Specification

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