Conditions | Yield |
---|---|
Stage #1: indole-2,3-dione With sodium hydroxide In water at 20 - 50℃; for 1.5h; Stage #2: With sulfuric acid; sodium nitrite In water at 0℃; for 1h; Stage #3: With hydrogenchloride; tin(ll) chloride In water for 1.16667h; | 100% |
With sodium hydroxide; sulfuric acid; sulfur dioxide; sodium nitrite Reagens 4: Zinnchloruer; | |
With sulfuric acid; sodium nitrite danach SnCl2; |
methyl 1-acetylindazole-3-carboxylate
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
With sodium hydroxide In hydrogenchloride; water | 100% |
With sodium hydroxide; water for 1.5h; Heating; | 97% |
ethyl 1-acetyl-1H-indazole-3-carboxylate
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
With sodium hydroxide; water for 1.5h; Heating; | 98% |
1-(3-(morpholine-4-carbonyl)-1H-indazol-1-yl)ethanone
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
With sodium hydroxide; water for 3h; Heating; | 96% |
4-bromobenzylideneaminoisatine
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
Stage #1: 4-bromobenzylideneaminoisatine With hydrogenchloride In water; acetic acid at 90 - 100℃; for 1h; Stage #2: With acetic acid at 115℃; for 1h; | 85% |
1-(benzylideneamino)indoline-2,3-dione
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
With hydrogenchloride; acetic acid In dichloromethane; ISOPROPYLAMIDE; water at 15 - 90℃; Product distribution / selectivity; Reflux; Inert atmosphere; | 76% |
Stage #1: 1-(benzylideneamino)indoline-2,3-dione With hydrogenchloride; acetic acid In water at 90℃; for 1h; Stage #2: With acetic acid at 115℃; for 0.5h; | 71% |
3-(hydroxymethyl)-1H-indazole
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
With chromium(VI) oxide; sulfuric acid In acetone at 20℃; for 24h; | 64% |
With chromium(VI) oxide; sulfuric acid In acetone at 20℃; for 24h; | 64% |
Conditions | Yield |
---|---|
With sodium hydroxide; sulfuric acid; sodium nitrite In hydrogenchloride; water | 31% |
1-dimethylamino-indolin-2-one
2,3-dimethyl-4-nitroso-aniline
sodium ethanolate
1H-Indazole-3-carboxylic acid
1-benzylideneamino-indole-2,3-dione
acetic acid
A
benzaldehyde
B
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
mit Wasserdampf; |
indazole-3-carbonitrile
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
With hydrogenchloride |
N-acetylaminoisatin
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
With sulfuric acid for 2.5h; Heating; |
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
With sulfuric acid |
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
With hydrogenchloride |
hydrogenchloride
1-benzylideneamino-indole-2,3-dione
A
benzaldehyde
B
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
mit Wasserdampf; |
oxalic acid-(benzylidene-phenyl-hydrazide)-chloride
A
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
With carbon disulfide; aluminium trichloride |
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: 95 percent / cc. H2SO4 / 4 h / Heating 2: 97 percent / H2 / 5percent Pd/C / toluene / Ambient temperature 3: 87 percent / 90percent t-BuONO / acetic acid / 0.5 h / 90 - 95 °C 4: 97 percent / NaOH, water / 1.5 h / Heating View Scheme | |
Multi-step reaction with 4 steps 1: 94 percent / cc. H2SO4 / 4 h / Heating 2: 97 percent / H2 / 5percent Pd/C / toluene / Ambient temperature 3: 83 percent / 90percent t-BuONO / toluene / 0.5 h / 90 - 95 °C 4: 98 percent / NaOH, water / 1.5 h / Heating View Scheme | |
Multi-step reaction with 4 steps 1: 89 percent / SOCl2 / dimethylformamide; 1,2-dichloro-ethane / 35-40 deg C, 2 h then 20 deg C, 2 h 2: 95 percent / H2 / 5percent Pd/C / toluene / Ambient temperature 3: 76 percent / 90percent t-BuONO / toluene / 0.5 h / 90 - 95 °C 4: 96 percent / NaOH, water / 3 h / Heating View Scheme | |
Multi-step reaction with 5 steps 1: 89 percent / SOCl2 / dimethylformamide; 1,2-dichloro-ethane / 35-40 deg C, 2 h then 20 deg C, 2 h 2: 92 percent / Fe, aq. NH4Cl / propan-2-ol / 1 h / Heating 3: toluene / rt to 95 deg C 4: 76 percent / 90percent t-BuONO / toluene / 0.5 h / 90 - 95 °C 5: 96 percent / NaOH, water / 3 h / Heating View Scheme |
methyl (2-nitrophenyl)acetate
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 97 percent / H2 / 5percent Pd/C / toluene / Ambient temperature 2: 87 percent / 90percent t-BuONO / acetic acid / 0.5 h / 90 - 95 °C 3: 97 percent / NaOH, water / 1.5 h / Heating View Scheme |
ethyl 2-nitrophenylacetate
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 97 percent / H2 / 5percent Pd/C / toluene / Ambient temperature 2: 83 percent / 90percent t-BuONO / toluene / 0.5 h / 90 - 95 °C 3: 98 percent / NaOH, water / 1.5 h / Heating View Scheme |
(2-acetylamino-phenyl)-acetic acid ethyl ester
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 83 percent / 90percent t-BuONO / toluene / 0.5 h / 90 - 95 °C 2: 98 percent / NaOH, water / 1.5 h / Heating View Scheme |
methyl 3-(2-acetamidophenyl)propanoate
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 87 percent / 90percent t-BuONO / acetic acid / 0.5 h / 90 - 95 °C 2: 97 percent / NaOH, water / 1.5 h / Heating View Scheme |
4-[(2-nitro-phenyl)-acetyl]-morpholine
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 95 percent / H2 / 5percent Pd/C / toluene / Ambient temperature 2: 76 percent / 90percent t-BuONO / toluene / 0.5 h / 90 - 95 °C 3: 96 percent / NaOH, water / 3 h / Heating View Scheme | |
Multi-step reaction with 4 steps 1: 92 percent / Fe, aq. NH4Cl / propan-2-ol / 1 h / Heating 2: toluene / rt to 95 deg C 3: 76 percent / 90percent t-BuONO / toluene / 0.5 h / 90 - 95 °C 4: 96 percent / NaOH, water / 3 h / Heating View Scheme |
4-(2-aminophenylacetyl)morpholine
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: toluene / rt to 95 deg C 2: 76 percent / 90percent t-BuONO / toluene / 0.5 h / 90 - 95 °C 3: 96 percent / NaOH, water / 3 h / Heating View Scheme |
N-[2-(2-Morpholin-4-yl-2-oxo-ethyl)-phenyl]-acetamide
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 76 percent / 90percent t-BuONO / toluene / 0.5 h / 90 - 95 °C 2: 96 percent / NaOH, water / 3 h / Heating View Scheme |
N-Acetylaminoisonitrosoacetanilide
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 96percent H2SO4 / 0.25 h / 85 °C 2: aq. H2SO4 / 2.5 h / Heating View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 79 percent / hydroxylamine hydrochloride, sodium sulphate, 1 N HCl / H2O / 0.17 h / 100 °C 2: 96percent H2SO4 / 0.25 h / 85 °C 3: aq. H2SO4 / 2.5 h / Heating View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: tin; hydrochloric acid 2: acid; sodium nitrite 3: concentrated hydrochloric acid View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: acid; sodium nitrite 2: concentrated hydrochloric acid View Scheme |
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 100℃; | 100% |
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 100℃; for 10h; | 66% |
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 100℃; | 100% |
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 100℃; for 10h; | 10% |
4-chloro-aniline
1H-Indazole-3-carboxylic acid
N-(4-chlorophenyl)-1H-indazole-3-carboxamide
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 100℃; | 100% |
methanol
1H-Indazole-3-carboxylic acid
methyl 1H-indazole-3-carboxylate
Conditions | Yield |
---|---|
With sulfuric acid for 2h; Heating; | 98% |
With sulfuric acid for 2h; Reflux; | 95% |
With thionyl chloride for 3h; Reflux; | 95% |
5,6-diamino-1-ethyl-3,3-dimethylindol-2-one
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
Stage #1: 5,6-diamino-1-ethyl-3,3-dimethylindol-2-one; 1H-Indazole-3-carboxylic acid With PPA; phosphorus pentoxide at 150℃; for 6h; Stage #2: With ammonia In water pH=7 - 8; | 97% |
endo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
1H-Indazole-3-carboxylic acid
endo-N-(9-methyl-9-azabicyclo<3.3.1>nonan-3-yl)-1H-indazole-3-carboxamide
Conditions | Yield |
---|---|
Stage #1: 1H-Indazole-3-carboxylic acid With benzotriazol-1-ol; dicyclohexyl-carbodiimide In dichloromethane; N,N-dimethyl-formamide at 20℃; for 2h; Stage #2: endo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine In dichloromethane; N,N-dimethyl-formamide at 20℃; Inert atmosphere; | 97% |
With benzotriazol-1-ol; dicyclohexyl-carbodiimide In dichloromethane; N,N-dimethyl-formamide at 20℃; | 73% |
1H-Indazole-3-carboxylic acid
dimethyl sulfate
methyl 1H-indazole-3-carboxylate
Conditions | Yield |
---|---|
Stage #1: 1H-Indazole-3-carboxylic acid With potassium carbonate In acetone at 20℃; for 0.166667h; Stage #2: dimethyl sulfate In acetone for 4h; Reflux; | 95% |
Phenylpropargyl aldehyde
Benzyl isocyanide
1H-Indazole-3-carboxylic acid
4-bromo-aniline
Conditions | Yield |
---|---|
Stage #1: Phenylpropargyl aldehyde; 4-bromo-aniline In 2,2,2-trifluoroethanol at 20℃; for 0.166667h; Microwave irradiation; Stage #2: Benzyl isocyanide; 1H-Indazole-3-carboxylic acid In N,N-dimethyl-formamide at 20 - 110℃; Microwave irradiation; | 95% |
oxetan-3-yl-methylamine
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 24h; Reagent/catalyst; Temperature; Solvent; | 94% |
1H-Indazole-3-carboxylic acid
methylamine
1-methyl-3-indolecarboxylic acid
Conditions | Yield |
---|---|
Stage #1: 1H-Indazole-3-carboxylic acid With tin(ll) chloride In acetonitrile at 55℃; for 6h; Stage #2: methylamine In acetonitrile at 9℃; for 41h; Temperature; Reflux; | 93% |
tert-butyl [2-amino-2-(hydroxyimino)ethyl]carbamate
1H-Indazole-3-carboxylic acid
tert-butyl 2-(1H-indazole-3-carbonyloxyimino)-2-aminoethylcarbamate
Conditions | Yield |
---|---|
Stage #1: 1H-Indazole-3-carboxylic acid With 1,1'-carbonyldiimidazole In N,N-dimethyl-formamide at 20℃; for 0.5h; Inert atmosphere; Stage #2: tert-butyl 2-amino-2-(hydroxyimino)ethylcarbamate In N,N-dimethyl-formamide at 20℃; for 18h; Inert atmosphere; | 92% |
Stage #1: 1H-Indazole-3-carboxylic acid With 1,1'-carbonyldiimidazole In N,N-dimethyl-formamide at 20℃; for 0.5h; Inert atmosphere; Stage #2: tert-butyl 2-amino-2-(hydroxyimino)ethylcarbamate In N,N-dimethyl-formamide at 20℃; | 92% |
1H-Indazole-3-carboxylic acid
1H-indazole-3-carbonyl chloride
Conditions | Yield |
---|---|
With thionyl chloride at 20℃; for 2h; Inert atmosphere; | 91% |
With thionyl chloride for 1h; Reflux; | |
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane for 2h; | |
With thionyl chloride for 8h; Reflux; | |
With thionyl chloride at 80℃; for 4h; |
Conditions | Yield |
---|---|
Stage #1: 1H-Indazole-3-carboxylic acid With calcium methylate In methanol for 2h; Heating / reflux; Stage #2: dimethyl sulfate In methanol for 3h; Heating / reflux; Stage #3: With hydrogenchloride In water for 2h; pH=1; | 87.7% |
Conditions | Yield |
---|---|
With bromine; acetic acid at 90 - 120℃; for 16h; | 87.5% |
Stage #1: 1H-Indazole-3-carboxylic acid With acetic acid at 120℃; Stage #2: With bromine; acetic acid at 90℃; for 16h; | 87.5% |
With bromine; acetic acid at 90 - 120℃; for 16h; | 87.5% |
1H-Indazole-3-carboxylic acid
dimethyl sulfate
1-methyl-1H-indazole-3-carboxylic acid
Conditions | Yield |
---|---|
Stage #1: 1H-Indazole-3-carboxylic acid With calcium oxide In methanol for 2h; Heating / reflux; Stage #2: dimethyl sulfate In methanol for 4h; Heating / reflux; | 85.6% |
Stage #1: 1H-Indazole-3-carboxylic acid With magnesium n-propylate In propan-1-ol for 2h; Heating / reflux; Stage #2: dimethyl sulfate In propan-1-ol at 20℃; for 5h; Heating / reflux; | 83.8% |
Stage #1: 1H-Indazole-3-carboxylic acid With magnesium ethylate In propan-1-ol for 2h; Heating / reflux; Stage #2: dimethyl sulfate In propan-1-ol at 20℃; for 2h; Heating / reflux; | 79.2% |
Stage #1: 1H-Indazole-3-carboxylic acid With barium(II) oxide In propan-1-ol for 2h; Heating / reflux; Stage #2: dimethyl sulfate In propan-1-ol at 20℃; for 2h; Heating / reflux; | 65.4% |
4-amino-1-benzylpiperidine
1H-Indazole-3-carboxylic acid
N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
Conditions | Yield |
---|---|
Stage #1: 1H-Indazole-3-carboxylic acid With 1,1'-carbonyldiimidazole In DMF (N,N-dimethyl-formamide) at 60℃; for 2h; Stage #2: 4-amino-1-benzylpiperidine In DMF (N,N-dimethyl-formamide) at 60℃; for 2h; | 85.1% |
With 1,1'-carbonyldiimidazole 1.) DMF, 60 deg C, 2 h, 2.) DMF, 60 deg C, 2 h; Yield given. Multistep reaction; | |
In N-methyl-acetamide; dichloromethane; 1,1'-carbonyldiimidazole | 76%. |
N,O-dimethylhydroxylamine*hydrochloride
1H-Indazole-3-carboxylic acid
1H-indazole-3-carboxylic acid methoxy(methyl)amide
Conditions | Yield |
---|---|
Stage #1: N,O-dimethylhydroxylamine*hydrochloride; 1H-Indazole-3-carboxylic acid With pyridine In tetrahydrofuran at 20℃; for 3h; Cooling with ice; Stage #2: With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In tetrahydrofuran at 20℃; | 85% |
With pyridine; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In tetrahydrofuran at 0 - 20℃; for 13.5h; | 84% |
Stage #1: N,O-dimethylhydroxylamine*hydrochloride; 1H-Indazole-3-carboxylic acid With pyridine In tetrahydrofuran at 0 - 20℃; for 2.5h; Stage #2: With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In tetrahydrofuran at 20℃; | 84% |
1H-Indazole-3-carboxylic acid
methyl 1H-indazole-3-carboxylate
Conditions | Yield |
---|---|
Stage #1: methanol With acetyl chloride at 0℃; for 0.166667h; Stage #2: 1H-Indazole-3-carboxylic acid at 0 - 20℃; | 85% |
With sodium bicarbonate; sulfuric acid In methanol | 61% |
In methanol |
oxotribromobis(triphenylphosphine)rhenium(V)
1H-Indazole-3-carboxylic acid
Conditions | Yield |
---|---|
With air In tetrahydrofuran byproducts: HBr, P(C6H5)3; addn. of Re complex to N compd. (1:1) in C4H8O, heating under reflux for4 h; concn., cooling to room temp., slow diffusion of diethyl ether, isolation of crystals, elem. anal.; | 85% |
1H-Indazole-3-carboxylic acid
1H-indazole-3-carboxamide
Conditions | Yield |
---|---|
Stage #1: 1H-Indazole-3-carboxylic acid With 4-methyl-morpholine; isobutyl chloroformate In tetrahydrofuran at -20℃; for 2h; Inert atmosphere; Stage #2: With ammonia In tetrahydrofuran; water at 20℃; for 1h; | 85% |
Stage #1: 1H-Indazole-3-carboxylic acid With 4-methyl-morpholine; isobutyl chloroformate In tetrahydrofuran at -20℃; for 2h; Inert atmosphere; Stage #2: With ammonia In tetrahydrofuran; water at 20℃; for 1h; Inert atmosphere; | 85% |
Stage #1: 1H-Indazole-3-carboxylic acid With thionyl chloride for 3h; Inert atmosphere; Reflux; Stage #2: With ammonia In tetrahydrofuran; water at 20℃; for 0.5h; Inert atmosphere; | 76% |
1H-Indazole-3-carboxylic acid
methyl iodide
1-methyl-1H-indazole-3-carboxylic acid
Conditions | Yield |
---|---|
Stage #1: 1H-Indazole-3-carboxylic acid With calcium oxide In methanol for 2h; Heating / reflux; Stage #2: methyl iodide In methanol at 20℃; for 26h; Heating / reflux; | 83.8% |
With hydrogenchloride; sodium chloride; sodium hydrogencarbonate In dimethyl sulfoxide; mineral oil |
2-methoxy-phenylamine
1H-Indazole-3-carboxylic acid
N-(2-methoxyphenyl)-1H-indazole-3-carboxamide
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 100℃; for 10h; | 82% |
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 100℃; | 70% |
1H-Indazole-3-carboxylic acid
4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Conditions | Yield |
---|---|
With trichlorophosphate at 90 - 95℃; | 82% |
aniline
1H-Indazole-3-carboxylic acid
1H-indazole-3-carboxylic acid phenylamide
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 100℃; | 81% |
Stage #1: 1H-Indazole-3-carboxylic acid With thionyl chloride for 3h; Inert atmosphere; Reflux; Stage #2: aniline In tetrahydrofuran at 20℃; for 0.5h; Inert atmosphere; | 70% |
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 48h; | 64% |
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 100℃; for 10h; | 59% |
1H-Indazole-3-carboxylic acid
(±)-(1R,3r,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl acetate
N-[(3-endo)-9-(phenylmethyl)-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide
Conditions | Yield |
---|---|
Stage #1: 1H-Indazole-3-carboxylic acid With benzotriazol-1-ol; dicyclohexyl-carbodiimide In dichloromethane; N,N-dimethyl-formamide at 20℃; for 2h; Stage #2: (±)-(1R,3r,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl acetate In dichloromethane; N,N-dimethyl-formamide at 20℃; Inert atmosphere; | 81% |
With the CAS registry number 4498-67-3, the IUPAC name of Indazole-3-carboxylic acid is 1H-indazole-3-carboxylic acid. The product's categories are Pharmaceutical Intermediates; Acids and Derivatives; Heterocycles; Indoles and Derivatives; Pharmacetical; Carboxylic Acids; Organic Acids; Indazoles; Indole Derivatives; Carboxylic Acids; Fused Ring Systems; Building Blocks; Heterocyclic Building Blocks. It is yellow crystal which is stable under normal temperature and pressure. Additioanlly, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1).ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.38; (4)ACD/LogD (pH 7.4): -1.57; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.06; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.743; (13)Molar Refractivity: 43.54 cm3; (14)Molar Volume: 107.6 cm3; (15)Polarizability: 17.26×10-24 cm3; (16)Surface Tension: 85.2 dyne/cm; (17)Enthalpy of Vaporization: 73.93 kJ/mol; (18)Vapour Pressure: 1.18E-08 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 4; (21)Exact Mass: 162.042927; (22)MonoIsotopic Mass: 162.042927; (23)Topological Polar Surface Area: 66; (24)Heavy Atom Count: 12; (25)Complexity: 196.
Preparation of Indazole-3-carboxylic acid: It can be obtained by 1-acetyl-1H-indazole-3-carboxylic acid ethyl ester. This reaction needs reagents NaOH and water by heating. The reaction time is 1.5 hours. The yield is 98%.
Uses of Indazole-3-carboxylic acid: It is used in organic synthesis. For example: it can react with 1,4-dimethyl-[1,4]diazepan-6-ylamine to get 1H-indazole-3-carboxylic acid (1,4-dimethyl-[1,4]diazepan-6-yl)-amide. This reaction needs reagent 1-ethyl-3-<3-(dimethylamino)propyl>carbodiimide hydrochloride and solvent CH2Cl2 at ambient temperature. The reaction time is 5 hours. The yield is 21%.
When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes, respiratory system and skin. So people should not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)c2nnc1ccccc12
2. InChI:InChI=1/C8H6N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)(H,11,12)
3. InChIKey:BHXVYTQDWMQVBI-UHFFFAOYAD
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