Product Name

  • Name

    5,6-Dimethylxantheonone-4-acetic acid

  • EINECS
  • CAS No. 117570-53-3
  • Article Data10
  • CAS DataBase
  • Density 1.321 g/cm3
  • Solubility
  • Melting Point 259-261 °C
  • Formula C17H14O4
  • Boiling Point 520.9 °C at 760 mmHg
  • Molecular Weight 282.296
  • Flash Point 197.1 °C
  • Transport Information UN 3077 9/PG 3
  • Appearance
  • Safety 60-61
  • Risk Codes 22-50/53
  • Molecular Structure Molecular Structure of 117570-53-3 (5,6-Dimethylxantheonone-4-acetic acid)
  • Hazard Symbols HarmfulXn, DangerousN
  • Synonyms 5,6-Dimethyl-9-oxo-9H-xanthen-4-ylaceticacid;AS 1404;ASA 404;DMXAA;NSC 640488;Vadimezan;
  • PSA 67.51000
  • LogP 3.19010

Synthetic route

2-(7-bromo-5,6-dimethyl-9-oxo-9H-xanthene-4-yl) acetic acid
1021381-69-0

2-(7-bromo-5,6-dimethyl-9-oxo-9H-xanthene-4-yl) acetic acid

vadimezan
117570-53-3

vadimezan

Conditions
ConditionsYield
With palladium on activated charcoal; hydrogen99%
With palladium on activated charcoal; hydrogen In methanol under 760.051 Torr;85%
2-<2-(carboxymethyl)phenoxy>-3,4-dimethylbenzoic acid
117570-93-1

2-<2-(carboxymethyl)phenoxy>-3,4-dimethylbenzoic acid

vadimezan
117570-53-3

vadimezan

Conditions
ConditionsYield
With sulfuric acid In water at 80℃; for 0.166667h;95%
With sulfuric acid In water at 80℃; for 0.166667h;70%
With sulfuric acid In water for 2h; Heating;64.4%
3,4-dimethyl-2-nitrobenzaldehyde

3,4-dimethyl-2-nitrobenzaldehyde

2-Hydroxyphenylacetic acid
614-75-5

2-Hydroxyphenylacetic acid

vadimezan
117570-53-3

vadimezan

Conditions
ConditionsYield
With potassium phosphate; triphenylphosphine; copper dichloride In toluene at 110℃; for 24h; Reagent/catalyst;83%
ethyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate
1415114-04-3

ethyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate

vadimezan
117570-53-3

vadimezan

Conditions
ConditionsYield
With water; sodium hydroxide In methanol at 40℃; Darkness;75%
Stage #1: ethyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate With water; sodium hydroxide at 40℃; Darkness;
Stage #2: With acetic acid In water Darkness;
(2-hydroxyphenyl)acetic acid disodium salt
117571-22-9

(2-hydroxyphenyl)acetic acid disodium salt

vadimezan
117570-53-3

vadimezan

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 71 percent / tris[2-(2-methoxyethoxy)ethyl]amine; CuCl / dimethylformamide / 4 h / 85 °C
2: 87 g / H2SO4 / H2O / 0.92 h / 90 °C
View Scheme
potassium; 2-iodo-3,4-dimethyl-benzoate

potassium; 2-iodo-3,4-dimethyl-benzoate

vadimezan
117570-53-3

vadimezan

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 71 percent / tris[2-(2-methoxyethoxy)ethyl]amine; CuCl / dimethylformamide / 4 h / 85 °C
2: 87 g / H2SO4 / H2O / 0.92 h / 90 °C
View Scheme
6,7-dimethylisatin
20205-43-0

6,7-dimethylisatin

vadimezan
117570-53-3

vadimezan

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 65 percent / KOH, KCl, 27percent H2O2 / 20 °C
2: 1.) concd. H2SO4, NaNO2, 2.) KI / 1.) water, 10 deg C, 2.) 100 deg C
3: 63 percent / tris<2-(2-methoxyethoxy)ethyl>amine (TDA-1), CuCl / dimethylsulfoxide / 12 h / 95 °C
4: 70 percent / concd. H2SO4 / H2O / 0.17 h / 80 °C
View Scheme
2,3-dimethyl-α-isonitrosoacetanilide
6579-44-8

2,3-dimethyl-α-isonitrosoacetanilide

vadimezan
117570-53-3

vadimezan

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 65 percent / CH3SO3H / 70 - 80 °C
2: 65 percent / KOH, KCl, 27percent H2O2 / 20 °C
3: 1.) concd. H2SO4, NaNO2, 2.) KI / 1.) water, 10 deg C, 2.) 100 deg C
4: 63 percent / tris<2-(2-methoxyethoxy)ethyl>amine (TDA-1), CuCl / dimethylsulfoxide / 12 h / 95 °C
5: 70 percent / concd. H2SO4 / H2O / 0.17 h / 80 °C
View Scheme
2-amino-3,4-dimethylbenzoic acid
50419-58-4

2-amino-3,4-dimethylbenzoic acid

vadimezan
117570-53-3

vadimezan

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 1.) concd. H2SO4, NaNO2, 2.) KI / 1.) water, 10 deg C, 2.) 100 deg C
2: 63 percent / tris<2-(2-methoxyethoxy)ethyl>amine (TDA-1), CuCl / dimethylsulfoxide / 12 h / 95 °C
3: 70 percent / concd. H2SO4 / H2O / 0.17 h / 80 °C
View Scheme
3,4-dimethyl-2-iodobenzoic acid
129833-31-4

3,4-dimethyl-2-iodobenzoic acid

vadimezan
117570-53-3

vadimezan

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 63 percent / tris<2-(2-methoxyethoxy)ethyl>amine (TDA-1), CuCl / dimethylsulfoxide / 12 h / 95 °C
2: 70 percent / concd. H2SO4 / H2O / 0.17 h / 80 °C
View Scheme
2,3-Dimethylaniline
87-59-2

2,3-Dimethylaniline

vadimezan
117570-53-3

vadimezan

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: Na2SO4, hydroxylamine sulfate, concd. HCl / H2O
2: 65 percent / CH3SO3H / 70 - 80 °C
3: 65 percent / KOH, KCl, 27percent H2O2 / 20 °C
4: 1.) concd. H2SO4, NaNO2, 2.) KI / 1.) water, 10 deg C, 2.) 100 deg C
5: 63 percent / tris<2-(2-methoxyethoxy)ethyl>amine (TDA-1), CuCl / dimethylsulfoxide / 12 h / 95 °C
6: 70 percent / concd. H2SO4 / H2O / 0.17 h / 80 °C
View Scheme
2,3-Dimethylphenol
526-75-0

2,3-Dimethylphenol

vadimezan
117570-53-3

vadimezan

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: sodium / methanol / 12 h / 100 °C
2.1: Tris(3,6-dioxaheptyl)amine; copper(l) chloride / dimethyl sulfoxide / 4 h / 85 °C
2.2: pH 2 - 3
3.1: sulfuric acid / water / 0.5 h / 90 °C
4.1: caesium carbonate / palladium diacetate; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride / 1,4-dioxane / 24 h / 80 °C
5.1: water; sodium hydroxide / 40 °C / Darkness
5.2: Darkness
View Scheme
Multi-step reaction with 3 steps
1: potassium phosphate; copper dichloride; triphenylphosphine / toluene / 24 h / 110 °C
2: bis(dibenzylideneacetone)-palladium(0); tri tert-butylphosphoniumtetrafluoroborate; 18-crown-6 ether; potassium phosphate / 12 h / 160 °C / Inert atmosphere
3: sodium hydroxide; water / methanol / 40 °C / Darkness
View Scheme
4-bromo-5,6-dimethylxanthone
1035912-43-6

4-bromo-5,6-dimethylxanthone

vadimezan
117570-53-3

vadimezan

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: caesium carbonate / palladium diacetate; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride / 1,4-dioxane / 24 h / 80 °C
2.1: water; sodium hydroxide / 40 °C / Darkness
2.2: Darkness
View Scheme
3-bromo-2-(2,3-dimethylphenoxy)-benzoic acid
1035912-41-4

3-bromo-2-(2,3-dimethylphenoxy)-benzoic acid

vadimezan
117570-53-3

vadimezan

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sulfuric acid / water / 0.5 h / 90 °C
2.1: caesium carbonate / palladium diacetate; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride / 1,4-dioxane / 24 h / 80 °C
3.1: water; sodium hydroxide / 40 °C / Darkness
3.2: Darkness
View Scheme
3-bromo-2-iodo benzoic acid potassium salt

3-bromo-2-iodo benzoic acid potassium salt

vadimezan
117570-53-3

vadimezan

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: Tris(3,6-dioxaheptyl)amine; copper(l) chloride / dimethyl sulfoxide / 4 h / 85 °C
1.2: pH 2 - 3
2.1: sulfuric acid / water / 0.5 h / 90 °C
3.1: caesium carbonate / palladium diacetate; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride / 1,4-dioxane / 24 h / 80 °C
4.1: water; sodium hydroxide / 40 °C / Darkness
4.2: Darkness
View Scheme
2-iodo-3-bromobenzoic acid
503821-94-1

2-iodo-3-bromobenzoic acid

vadimezan
117570-53-3

vadimezan

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: potassium hydroxide / water / 12 h / 100 °C
2.1: Tris(3,6-dioxaheptyl)amine; copper(l) chloride / dimethyl sulfoxide / 4 h / 85 °C
2.2: pH 2 - 3
3.1: sulfuric acid / water / 0.5 h / 90 °C
4.1: caesium carbonate / palladium diacetate; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride / 1,4-dioxane / 24 h / 80 °C
5.1: water; sodium hydroxide / 40 °C / Darkness
5.2: Darkness
View Scheme
sodium 2,3-xylenolate
37621-79-7

sodium 2,3-xylenolate

vadimezan
117570-53-3

vadimezan

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: Tris(3,6-dioxaheptyl)amine; copper(l) chloride / dimethyl sulfoxide / 4 h / 85 °C
1.2: pH 2 - 3
2.1: sulfuric acid / water / 0.5 h / 90 °C
3.1: caesium carbonate / palladium diacetate; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride / 1,4-dioxane / 24 h / 80 °C
4.1: water; sodium hydroxide / 40 °C / Darkness
4.2: Darkness
View Scheme
(2-hydroxyphenyl)acetic acid disodium salt
117571-22-9

(2-hydroxyphenyl)acetic acid disodium salt

potassium; 2-iodo-3,4-dimethyl-benzoate

potassium; 2-iodo-3,4-dimethyl-benzoate

vadimezan
117570-53-3

vadimezan

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: Tris(3,6-dioxaheptyl)amine; copper(l) chloride / dimethyl sulfoxide / 8 h / Heating; Inert atmosphere
2: sulfuric acid / water / 2 h / Heating
View Scheme
3,4-dimethylbenzoic acid
619-04-5

3,4-dimethylbenzoic acid

vadimezan
117570-53-3

vadimezan

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sulfuric acid; N-Bromosuccinimide / 12 h / 20 °C
2: trichlorophosphate; zinc(II) chloride / 0.67 h / 85 °C / Microwave irradiation
3: hydrogen; palladium on activated charcoal / methanol / 760.05 Torr
View Scheme
2,5-dibromo-3,4-dimethylbenzoic acid
6514-83-6

2,5-dibromo-3,4-dimethylbenzoic acid

vadimezan
117570-53-3

vadimezan

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: trichlorophosphate; zinc(II) chloride / 0.67 h / 85 °C / Microwave irradiation
2: hydrogen; palladium on activated charcoal / methanol / 760.05 Torr
View Scheme
2,3-dichlorobenzylaldehyde
6334-18-5

2,3-dichlorobenzylaldehyde

vadimezan
117570-53-3

vadimezan

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: potassium phosphate; copper dichloride; triphenylphosphine / toluene / 24 h / 110 °C
2: bis(dibenzylideneacetone)-palladium(0); tri tert-butylphosphoniumtetrafluoroborate; 18-crown-6 ether; potassium phosphate / 12 h / 160 °C / Inert atmosphere
3: sodium hydroxide; water / methanol / 40 °C / Darkness
View Scheme
3,4-dimethylbenzaldehyde
5973-71-7

3,4-dimethylbenzaldehyde

vadimezan
117570-53-3

vadimezan

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sulfuric acid; potassium nitrate / 1.5 h / -5 - 0 °C
2: potassium phosphate; copper dichloride; triphenylphosphine / toluene / 24 h / 110 °C
View Scheme
1-Phenylethanol
98-85-1, 13323-81-4

1-Phenylethanol

vadimezan
117570-53-3

vadimezan

1-phenylethyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate

1-phenylethyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate

Conditions
ConditionsYield
With diphenylammonium trifluoromethanesulfonate In toluene for 2h; Reflux;99.4%
propan-1-ol
71-23-8

propan-1-ol

vadimezan
117570-53-3

vadimezan

propyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate

propyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate

Conditions
ConditionsYield
With diphenylammonium trifluoromethanesulfonate In toluene for 2h; Reflux;98.7%
methanol
67-56-1

methanol

vadimezan
117570-53-3

vadimezan

methyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate
1035912-44-7

methyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate

Conditions
ConditionsYield
With diphenylammonium trifluoromethanesulfonate In toluene for 2h; Reflux;98.6%
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane; N,N-dimethyl-formamide at 23℃; for 3h;88%
vadimezan
117570-53-3

vadimezan

GlyOEt*HCl
459-73-4

GlyOEt*HCl

ethyl 2-(2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetamido)acetate
1415113-38-0

ethyl 2-(2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetamido)acetate

Conditions
ConditionsYield
With benzotriazol-1-ol; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 60℃; for 24h;96.5%
vadimezan
117570-53-3

vadimezan

butan-1-ol
71-36-3

butan-1-ol

butyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate

butyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate

Conditions
ConditionsYield
With diphenylammonium trifluoromethanesulfonate In toluene for 2h; Reflux;95.8%
ethanol
64-17-5

ethanol

vadimezan
117570-53-3

vadimezan

ethyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate
1415114-04-3

ethyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate

Conditions
ConditionsYield
With diphenylammonium trifluoromethanesulfonate In toluene for 2h; Reflux;95.4%
3-amino-propionic acid ethyl ester
924-73-2

3-amino-propionic acid ethyl ester

vadimezan
117570-53-3

vadimezan

ethyl 3-(2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetamido)propanoate
1415113-39-1

ethyl 3-(2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetamido)propanoate

Conditions
ConditionsYield
With benzotriazol-1-ol; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 60℃; for 24h;92.4%
vadimezan
117570-53-3

vadimezan

cyclohexanol
108-93-0

cyclohexanol

cyclohexyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate

cyclohexyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate

Conditions
ConditionsYield
With diphenylammonium trifluoromethanesulfonate In toluene for 2h; Reflux;90.6%
n-heptan1ol
111-70-6

n-heptan1ol

vadimezan
117570-53-3

vadimezan

2-(5,6-dimethylxanthone-4-yl)acetic acid heptyl ester
1415113-18-6

2-(5,6-dimethylxanthone-4-yl)acetic acid heptyl ester

Conditions
ConditionsYield
With diphenylammonium trifluoromethanesulfonate In toluene for 2h; Reflux;87.8%
With diphenylammonium trifluoromethanesulfonate In toluene Reflux;87.8%
i-Amyl alcohol
123-51-3

i-Amyl alcohol

vadimezan
117570-53-3

vadimezan

isopentyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate

isopentyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate

Conditions
ConditionsYield
With diphenylammonium trifluoromethanesulfonate In toluene for 2h; Reflux;87.4%
8-methyl-1-nonanol
55505-26-5

8-methyl-1-nonanol

vadimezan
117570-53-3

vadimezan

8-methylnonyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetat

8-methylnonyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetat

Conditions
ConditionsYield
With diphenylammonium trifluoromethanesulfonate In toluene for 2h; Reflux;87.1%
vadimezan
117570-53-3

vadimezan

benzyl alcohol
100-51-6

benzyl alcohol

2-(5,6-dimethylxanthone-4-yl)acetic acid benzyl ester
1415113-22-2

2-(5,6-dimethylxanthone-4-yl)acetic acid benzyl ester

Conditions
ConditionsYield
With diphenylammonium trifluoromethanesulfonate In toluene for 2h; Reflux;81.7%
pentan-1-ol
71-41-0

pentan-1-ol

vadimezan
117570-53-3

vadimezan

pentyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate

pentyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate

Conditions
ConditionsYield
With diphenylammonium trifluoromethanesulfonate In toluene for 2h; Reflux;80.6%
vadimezan
117570-53-3

vadimezan

aniline
62-53-3

aniline

2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)-N-phenylacetamide
1415113-26-6

2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)-N-phenylacetamide

Conditions
ConditionsYield
With benzotriazol-1-ol; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 60℃; for 24h;80%
vadimezan
117570-53-3

vadimezan

p-aminoethylbenzoate
94-09-7

p-aminoethylbenzoate

4-(2-(5,6-dimethylxanthone-4-yl)acetamido)benzoic acid ethyl ester
1415113-40-4

4-(2-(5,6-dimethylxanthone-4-yl)acetamido)benzoic acid ethyl ester

Conditions
ConditionsYield
With benzotriazol-1-ol; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 60℃; for 24h;79.3%
4-phenyl-butan-1-ol
3360-41-6

4-phenyl-butan-1-ol

vadimezan
117570-53-3

vadimezan

4-phenylbutyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate

4-phenylbutyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate

Conditions
ConditionsYield
With diphenylammonium trifluoromethanesulfonate In toluene for 2h; Reflux;78.7%
1-octadecanol
112-92-5

1-octadecanol

vadimezan
117570-53-3

vadimezan

2-(5,6-dimethylxanthone-4-yl)acetic acid octadecyl ester
1415113-19-7

2-(5,6-dimethylxanthone-4-yl)acetic acid octadecyl ester

Conditions
ConditionsYield
With diphenylammonium trifluoromethanesulfonate In toluene for 2h; Reflux;73.7%
vadimezan
117570-53-3

vadimezan

isopropyl alcohol
67-63-0

isopropyl alcohol

isopropyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate

isopropyl 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetate

Conditions
ConditionsYield
With diphenylammonium trifluoromethanesulfonate In toluene for 2h; Reflux;73.4%
vadimezan
117570-53-3

vadimezan

2,2-dideutero-2-(1,2,3,7,8-pentadeutero-9-oxo-5,6-bis(trideuteromethyl)-9H-xanthen-4-yl)acetic acid
1222125-89-4

2,2-dideutero-2-(1,2,3,7,8-pentadeutero-9-oxo-5,6-bis(trideuteromethyl)-9H-xanthen-4-yl)acetic acid

Conditions
ConditionsYield
Stage #1: vadimezan With [D]-sodium hydroxide; hydrogen; water-d2; platinum on carbon; palladium 10% on activated carbon at 180℃; for 96h; Sealed tube;
Stage #2: With hydrogenchloride In water pH=3;		68%
1-Heptylamine
111-68-2

1-Heptylamine

vadimezan
117570-53-3

vadimezan

2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)-N-heptylacetamide

2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)-N-heptylacetamide

Conditions
ConditionsYield
With benzotriazol-1-ol; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 60℃; for 24h;66.4%
propylamine
107-10-8

propylamine

vadimezan
117570-53-3

vadimezan

2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)-N-propylacetamide
1415113-24-4

2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)-N-propylacetamide

Conditions
ConditionsYield
With benzotriazol-1-ol; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 60℃; for 24h;64.9%
With benzotriazol-1-ol; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide Heating;64.9%
vadimezan
117570-53-3

vadimezan

m,p-dichloroaniline
95-76-1

m,p-dichloroaniline

N-(3,4-dichlorophenyl)-2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetamide
1415113-29-9

N-(3,4-dichlorophenyl)-2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetamide

Conditions
ConditionsYield
With benzotriazol-1-ol; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 60℃; for 24h;58.6%
vadimezan
117570-53-3

vadimezan

allyl alcohol
107-18-6

allyl alcohol

2-(5,6-dimethylxanthone-4-yl)acetic acid allyl ester
1415113-20-0

2-(5,6-dimethylxanthone-4-yl)acetic acid allyl ester

Conditions
ConditionsYield
With diphenylammonium trifluoromethanesulfonate In toluene for 2h; Reflux;57.7%
vadimezan
117570-53-3

vadimezan

3-chloro-aniline
108-42-9

3-chloro-aniline

N-(3-chlorophenyl)-2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetamide
1415113-28-8

N-(3-chlorophenyl)-2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetamide

Conditions
ConditionsYield
With benzotriazol-1-ol; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 60℃; for 24h;55.7%
3,4-dihydro-12-O-(3'-hydroxypropyl)-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one

3,4-dihydro-12-O-(3'-hydroxypropyl)-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one

vadimezan
117570-53-3

vadimezan

3,4-dihydro-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one-12-O-propyl 5,6-dimethylxanthone-4-acetate

3,4-dihydro-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one-12-O-propyl 5,6-dimethylxanthone-4-acetate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 20℃; for 24h;52.4%
3,4-dihydro-12-O-(4'-hydroxybutyl)-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one

3,4-dihydro-12-O-(4'-hydroxybutyl)-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one

vadimezan
117570-53-3

vadimezan

3,4-dihydro-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one-12-O-butyl 5,6-dimethylxanthone-4-acetate

3,4-dihydro-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one-12-O-butyl 5,6-dimethylxanthone-4-acetate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 20℃; for 24h;52.4%
With dmap; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 20℃; for 24h;51.3%

5,6-Dimethylxantheonone-4-acetic acid Chemical Properties

The Molecular Structure of  5,6-Dimethylxantheonone-4-acetic acid (CAS NO.117570-53-3) is

Cas Register Number: 117570-53-3
IUPAC Name:  2-(5,6-Dimethyl-9-oxoxanthen-4-yl)acetic acid
Synonyms:  5,6-Dimethyl xanthenone acetic acid ; 5,6-Dimethyl-9-oxo-9H-xanthene-4-acetic acid ; 5,6-Dimethylxanthenone-4-acetic acid ; 5,6-MeXAA ; Dimethyloxoxanthene acetic acid ; Vadimezan ; 9H-Xanthene-4-acetic acid, 5,6-dimethyl-9-oxo- ; 5,6-Dimethylxanthenoneacetic acid
Molecular Formula: C17H14O4
Molecular Weight: 282.290660 g/mol 
Classification Code: Antineoplastic Agents 
H bond acceptors: 4
H bond donors: 1
#Freely Rotating Bonds: 2
Polar Surface Area: 52.6 Å2
Index of Refraction: 1.633
Molar Refractivity: 76.29 cm3
Molar Volume: 213.6 cm3
Surface Tension: 57 dyne/cm
Density: 1.321 g/cm3
Flash Point: 197.1 °C
Enthalpy of Vaporization: 83.59 kJ/mol
Boiling Point: 520.9 °C at 760 mmHg
Vapour Pressure of  5,6-Dimethylxantheonone-4-acetic acid (CAS NO.117570-53-3): 1.12E-11 mmHg at 25°C

5,6-Dimethylxantheonone-4-acetic acid Safety Profile

 Hazard Codes: HarmfulXn,DangerousN
Risk Statements: 22-50/53 
R22:Harmful if swallowed. 
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 60-61 
S60:This material and its container must be disposed of as hazardous waste. 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 3077 9/PG 3
WGK Germany: 3
RTECS: ZD5536200

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