Product Name

  • Name

    methyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate

  • EINECS
  • CAS No. 874649-82-8
  • Article Data7
  • CAS DataBase
  • Density 1.242 g/cm3
  • Solubility
  • Melting Point 48 °C
  • Formula C11H11FO3
  • Boiling Point 286.8 °C at 760 mmHg
  • Molecular Weight 210.205
  • Flash Point 123.3 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 874649-82-8 (methyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate)
  • Hazard Symbols
  • Synonyms methyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate;rac-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic Acid Methyl Ester;methyl 6-fluorochroman-2-carboxylate;Methyl 6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate;TRC-CANADA;Methyl 6-fluorochromane-2-carboxylate
  • PSA 35.53000
  • LogP 1.69230

Synthetic route

6-fluoro-4-oxo-4H-1-benzopyran-2-carboxylic acid
99199-59-4

6-fluoro-4-oxo-4H-1-benzopyran-2-carboxylic acid

methanesulfonic acid
75-75-2

methanesulfonic acid

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

Conditions
ConditionsYield
With hydrogen; 5%-palladium/activated carbon In tetrahydrofuran at 45 - 55℃; under 3000.3 Torr;100%
6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
99199-60-7

6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid

methanol
67-56-1

methanol

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

Conditions
ConditionsYield
With sulfuric acid at 25 - 30℃;98%
With sulfuric acid at 30℃; Reflux;97%
Stage #1: 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid; methanol With sulfuric acid at 20 - 60℃; for 3.5h;
Stage #2: With water; sodium hydrogencarbonate In methanol		87.9%
With sulfuric acid at 65 - 70℃; for 8h; Fischer–Speier Esterification;85%
1-(5-fluoro-2-hydroxyphenyl)ethan-1-one
394-32-1

1-(5-fluoro-2-hydroxyphenyl)ethan-1-one

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: sodium methylate; methanol / tetrahydrofuran / 5 - 25 °C
1.2: 5 - 15 °C
1.3: Reflux
2.1: hydrogen / 5%-palladium/activated carbon / tetrahydrofuran / 45 - 55 °C / 3000.3 Torr
View Scheme
Multi-step reaction with 4 steps
1: sodium methylate / methanol / 65 - 70 °C
2: hydrogenchloride / water / 85 - 90 °C
3: hydrogen; palladium on activated charcoal; acetic acid / 75 - 80 °C / Inert atmosphere; Autoclave
4: sulfuric acid / 8 h / 65 - 70 °C
View Scheme
C12H13FO5

C12H13FO5

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: aluminum (III) chloride / dichloromethane / 0 - 20 °C
2: triphenylphosphine; diethylazodicarboxylate / tetrahydrofuran / 1 h / 0 °C
3: 5%-palladium/activated carbon; hydrogenchloride; hydrogen / methanol / 5 h / 20 °C / 760.05 Torr
View Scheme
methyl 6-fluoro-4-oxo-3,4-dihydro-2H-chroman-2-carboxylate
134102-10-6

methyl 6-fluoro-4-oxo-3,4-dihydro-2H-chroman-2-carboxylate

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

Conditions
ConditionsYield
With hydrogenchloride; 5%-palladium/activated carbon; hydrogen In methanol at 20℃; under 760.051 Torr; for 5h;
C11H11FO5

C11H11FO5

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: triphenylphosphine; diethylazodicarboxylate / tetrahydrofuran / 1 h / 0 °C
2: 5%-palladium/activated carbon; hydrogenchloride; hydrogen / methanol / 5 h / 20 °C / 760.05 Torr
View Scheme
4-Fluorophenol
371-41-5

4-Fluorophenol

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: 45 - 50 °C
2: aluminum (III) chloride; hydrogenchloride / water / 140 - 145 °C
3: sodium methylate / methanol / 65 - 70 °C
4: hydrogenchloride / water / 85 - 90 °C
5: hydrogen; palladium on activated charcoal; acetic acid / 75 - 80 °C / Inert atmosphere; Autoclave
6: sulfuric acid / 8 h / 65 - 70 °C
View Scheme
4-fluorophenyl acetate
405-51-6

4-fluorophenyl acetate

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: aluminum (III) chloride; hydrogenchloride / water / 140 - 145 °C
2: sodium methylate / methanol / 65 - 70 °C
3: hydrogenchloride / water / 85 - 90 °C
4: hydrogen; palladium on activated charcoal; acetic acid / 75 - 80 °C / Inert atmosphere; Autoclave
5: sulfuric acid / 8 h / 65 - 70 °C
View Scheme
ethyl 4-(5-fluoro-2-hydroxyphenyl)-2,4-dioxobutanoate

ethyl 4-(5-fluoro-2-hydroxyphenyl)-2,4-dioxobutanoate

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: hydrogenchloride / water / 85 - 90 °C
2: hydrogen; palladium on activated charcoal; acetic acid / 75 - 80 °C / Inert atmosphere; Autoclave
3: sulfuric acid / 8 h / 65 - 70 °C
View Scheme
6-fluoro-4-oxo-4H-1-benzopyran-2-carboxylic acid
99199-59-4

6-fluoro-4-oxo-4H-1-benzopyran-2-carboxylic acid

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrogen; palladium on activated charcoal; acetic acid / 75 - 80 °C / Inert atmosphere; Autoclave
2: sulfuric acid / 8 h / 65 - 70 °C
View Scheme
(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxaldehyde
409346-73-2

6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxaldehyde

Conditions
ConditionsYield
With morpholine; sodium bis(2-methoxyethoxy)aluminium dihydride In toluene at -10℃; for 2h; Reagent/catalyst; Inert atmosphere;98%
(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

6-fluoro-3,4-dihydro-2H-chromene-2-carbohydrazide

6-fluoro-3,4-dihydro-2H-chromene-2-carbohydrazide

Conditions
ConditionsYield
With hydrazine hydrate In ethanol Reflux;91%
(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

dimethylsulfoxonium-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-oxoethylide
1017878-51-1

dimethylsulfoxonium-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-oxoethylide

Conditions
ConditionsYield
Stage #1: trimethylsulfoxonium iodide With potassium tert-butylate In tetrahydrofuran at 25 - 70℃; for 2 - 2.16667h; Protected from light;
Stage #2: (-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate In tetrahydrofuran at 20℃; for 3.5 - 19h; Product distribution / selectivity;		48%
(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

(+/-)-6-fluoro-3,4-dihydro-8-nitro-2H-1-benzopyran-2-carboxylic acid

(+/-)-6-fluoro-3,4-dihydro-8-nitro-2H-1-benzopyran-2-carboxylic acid

Conditions
ConditionsYield
With nitric acid
(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

6-fluoro-3,4-dihydro-2-oxiranyl-2H-1-benzopyran
99199-90-3

6-fluoro-3,4-dihydro-2-oxiranyl-2H-1-benzopyran

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: n-butyllithium / hexane; tetrahydrofuran / -85 - -75 °C
1.2: -80 - 0 °C
2.1: ethanol; sodium tetrahydroborate / 2 h / 0 °C / Inert atmosphere
3.1: sodium hydroxide / isopropyl alcohol; water / 1.5 h / 0 °C / Inert atmosphere
View Scheme
(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

2-chloro-1-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2yl)ethanol
1017878-67-9

2-chloro-1-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2yl)ethanol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: n-butyllithium / hexane; tetrahydrofuran / -85 - -75 °C
1.2: -80 - 0 °C
2.1: ethanol; sodium tetrahydroborate / 2 h / 0 °C / Inert atmosphere
View Scheme
(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

Conditions
ConditionsYield
Stage #1: (-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate; chlorobromomethane With n-butyllithium In tetrahydrofuran; hexane at -85 - -75℃;
Stage #2: With borane In tetrahydrofuran; hexane at -80 - -70℃;
Stage #3: With water; sodium hydroxide In tetrahydrofuran; hexane for 2h; Reflux;
(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

chlorobromomethane
74-97-5

chlorobromomethane

2-chloro-1-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)ethan-1-one
943126-72-5

2-chloro-1-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)ethan-1-one

Conditions
ConditionsYield
Stage #1: (-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate; chlorobromomethane With n-butyllithium In tetrahydrofuran; hexane at -85 - -75℃;
Stage #2: With acetic acid In tetrahydrofuran; hexane; water at -80 - 0℃;
(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

A

6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxaldehyde
409346-73-2

6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxaldehyde

B

(6-fluoro-3,4-dihydro-2H-chromene-2-yl)methanol
99199-62-9

(6-fluoro-3,4-dihydro-2H-chromene-2-yl)methanol

Conditions
ConditionsYield
With sodium bis(2-methoxyethoxy)aluminium dihydride In dichloromethane; isopropyl alcohol; toluene at -78 - -73℃; Concentration; Solvent; Inert atmosphere;
(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

[1R*(R*)]-6-fluoro-3,4-dihydro-2-(oxiran-2-yl)-2H-chromene

[1R*(R*)]-6-fluoro-3,4-dihydro-2-(oxiran-2-yl)-2H-chromene

[1S*(R*)]-6-fluoro-3,4-dihydro-2-(oxiran-2-yl)-2H-chromene

[1S*(R*)]-6-fluoro-3,4-dihydro-2-(oxiran-2-yl)-2H-chromene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium bis(2-methoxyethoxy)aluminium dihydride / dichloromethane; toluene; isopropyl alcohol / -78 - -73 °C / Inert atmosphere
2: potassium tert-butylate / dimethyl sulfoxide / 25 °C
View Scheme
(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
99199-60-7

6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid

Conditions
ConditionsYield
With lithium hydroxide In tetrahydrofuran; methanol; water at 20℃; for 2h;
(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

[R*(R*)]-6-fluoro-3,4-dihydro-2-oxiran-2-yl-2H-benzopyran

[R*(R*)]-6-fluoro-3,4-dihydro-2-oxiran-2-yl-2H-benzopyran

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium bis(2-methoxyethoxy)aluminium dihydride; morpholine / toluene / 2 h / -10 °C / Inert atmosphere
2: trimethylsulfoxonium iodide; sodium methylate / dimethyl sulfoxide; dichloromethane / 2 h / 10 - 15 °C
View Scheme
(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

(S*,R*)-(+/-)-α-[(benzylamino)methyl]-(6-fluoro-2-chromanyl)methanol

(S*,R*)-(+/-)-α-[(benzylamino)methyl]-(6-fluoro-2-chromanyl)methanol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium bis(2-methoxyethoxy)aluminium dihydride; morpholine / toluene / 2 h / -10 °C / Inert atmosphere
2: trimethylsulfoxonium iodide; sodium methylate / dimethyl sulfoxide; dichloromethane / 2 h / 10 - 15 °C
3: water / 6 h / 10 - 30 °C
View Scheme
(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

[2S*[1R*,5R*(R*)]]α,α'-[[(phenylmethyl)imino]bismethylene] bis [6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol]

[2S*[1R*,5R*(R*)]]α,α'-[[(phenylmethyl)imino]bismethylene] bis [6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol]

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium bis(2-methoxyethoxy)aluminium dihydride; morpholine / toluene / 2 h / -10 °C / Inert atmosphere
2: trimethylsulfoxonium iodide; sodium methylate / dimethyl sulfoxide; dichloromethane / 2 h / 10 - 15 °C
3: methanol / 15 h / 30 °C / Reflux
View Scheme
Multi-step reaction with 4 steps
1: sodium bis(2-methoxyethoxy)aluminium dihydride; morpholine / toluene / 2 h / -10 °C / Inert atmosphere
2: trimethylsulfoxonium iodide; sodium methylate / dimethyl sulfoxide; dichloromethane / 2 h / 10 - 15 °C
3: water / 6 h / 10 - 30 °C
4: methanol / 15 h / 30 °C / Reflux
View Scheme
(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

nebivolol hydrochloride

nebivolol hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: sodium bis(2-methoxyethoxy)aluminium dihydride; morpholine / toluene / 2 h / -10 °C / Inert atmosphere
2: trimethylsulfoxonium iodide; sodium methylate / dimethyl sulfoxide; dichloromethane / 2 h / 10 - 15 °C
3: methanol / 15 h / 30 °C / Reflux
4: palladium on activated charcoal; hydrogen / acetic acid / 30 - 35 °C
View Scheme
Multi-step reaction with 5 steps
1: sodium bis(2-methoxyethoxy)aluminium dihydride; morpholine / toluene / 2 h / -10 °C / Inert atmosphere
2: trimethylsulfoxonium iodide; sodium methylate / dimethyl sulfoxide; dichloromethane / 2 h / 10 - 15 °C
3: water / 6 h / 10 - 30 °C
4: methanol / 15 h / 30 °C / Reflux
5: palladium on activated charcoal; hydrogen / acetic acid / 30 - 35 °C
View Scheme
(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

[R*(S*)]-6-fluoro-3,4-dihydro-2-oxiran-2-yl-2H-benzopyran

[R*(S*)]-6-fluoro-3,4-dihydro-2-oxiran-2-yl-2H-benzopyran

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium bis(2-methoxyethoxy)aluminium dihydride; morpholine / toluene / 2 h / -10 °C / Inert atmosphere
2: trimethylsulfoxonium iodide; sodium methylate / dimethyl sulfoxide; dichloromethane / 2 h / 10 - 15 °C
View Scheme
(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

1-(2,6-difluorobenzyl)-4-(5-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl)-1H-1,2,3-triazole

1-(2,6-difluorobenzyl)-4-(5-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl)-1H-1,2,3-triazole

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrazine hydrate / ethanol / Reflux
2: trichlorophosphate / Reflux
View Scheme
(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

2,5-bis(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazole

2,5-bis(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazole

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrazine hydrate / ethanol / Reflux
2: trichlorophosphate / Reflux
View Scheme
(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate
874649-82-8

(-)-(R)-methyl 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylate

6-fluoro-2-(5-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl)-4H-chromen-4-one

6-fluoro-2-(5-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl)-4H-chromen-4-one

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrazine hydrate / ethanol / Reflux
2: trichlorophosphate / Reflux
View Scheme

2H-1-Benzopyran-2-carboxylicacid, 6-fluoro-3,4-dihydro-, methyl ester Specification

This chemical is called 2H-1-benzopyran-2-carboxylic acid, 6-fluoro-3,4-dihydro-, methyl ester, and its systematic name is Methyl 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylate. With the molecular formula of C11H11FO3, its molecular weight is 210.20. The CAS registry number of this chemical is 874649-82-8.

Other characteristics of the 2H-1-benzopyran-2-carboxylic acid, 6-fluoro-3,4-dihydro-, methyl ester can be summarised as followings: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.34; (5)ACD/BCF (pH 5.5): 35.54; (6)ACD/BCF (pH 7.4): 35.54; (7)ACD/KOC (pH 5.5): 448.36; (8)ACD/KOC (pH 7.4): 448.36; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 50.97 cm3; (15)Molar Volume: 169.1 cm3; (16)Polarizability: 20.2×10-24cm3; (17)Surface Tension: 39.4 dyne/cm; (18)Density: 1.242 g/cm3; (19)Flash Point: 123.3 °C; (20)Enthalpy of Vaporization: 52.59 kJ/mol; (21)Boiling Point: 286.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00258 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: COC(=O)C1CCc2cc(F)ccc2O1
2.InChI: InChI=1/C11H11FO3/c1-14-11(13)10-4-2-7-6-8(12)3-5-9(7)15-10/h3,5-6,10H,2,4H2,1H3
3.InChIKey: QAYAXMIKHJVIJM-UHFFFAOYAK

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