3-Hydroxyindole supplier | CasNO.480-93-3

Name
1H-Indol-3-ol
EINECS
CAS No. 480-93-3
Article Data71
CAS DataBase
Density 1.327 g/cm³
Solubility
Melting Point 85-87 °C
Formula C₈H₇NO
Boiling Point 343.192 °C at 760 mmHg
Molecular Weight 133.15
Flash Point 161.357 °C
Transport Information
Appearance yellow -green powder.
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms Indol-3-ol(7CI,8CI);Indoxyl (6CI);
PSA 36.02000
LogP 1.87350

Synthetic route

: 4127-53-1
3-methylbenzo[c]isoxazole

: 480-93-3
indoxyl

Conditions

Conditions	Yield
at 575℃;	95%

: 106718-55-2
ethyl o-azidobenzoyl(phenyl)acetate

A: 480-93-3
indoxyl

B: 106718-53-0
3-<α-(ethoxycarbonyl)benzyl>-2,1-benzisoxazole

Conditions

Conditions	Yield
at 350℃; for 1h; spray vacuum pyrolysis;	A 30% B 6%

: 120-72-9
indole

A: 480-93-3
indoxyl

B: 482-89-3
1H,1H'-2,2'-Biindolylidene-3,3'-dione

: 6245-93-8
3-hydroxy-1H-indole-2-carboxylic acid

: 480-93-3
indoxyl

Conditions

Conditions	Yield
With water auf den Schmelzpunkt;
With water at 70 - 80℃;
beim Erhitzen ueber den Schmelzpunkt;
With water auf den Schmelzpunkt;
With water at 70 - 80℃;

: 15414-78-5
1-phenylhydantoin

: 480-93-3
indoxyl

Conditions

Conditions	Yield
With potassium hydroxide; sodium amide
With alkali metal
With alkaline earth metal
With barium(II) oxide at 250℃;

: 92-50-2
2-( N-ethylanilino)ethanol

: 480-93-3
indoxyl

Conditions

Conditions	Yield
Alkalischmelze;

: 530-85-8
3-(2-nitrophenyl)-2-propynoic acid

: 480-93-3
indoxyl

Conditions

Conditions	Yield
Ausscheidung im Harn nach Verabreichung an Menschen;

: 120-07-0
2,2'-(phenylimino)bis[ethanol]

: 480-93-3
indoxyl

Conditions

Conditions	Yield
Alkalischmelze;

: 612-42-0
phenylglycine-o-carboxylic acid

: 480-93-3
indoxyl

Conditions

Conditions	Yield
With potassium hydroxide at 250℃; unter vermindertem Druck;

: 579-98-6, 116306-61-7
N-acetyl-N-phenylglycine

: 480-93-3
indoxyl

Conditions

Conditions	Yield
With aluminium trichloride

: 4127-53-1
3-methylbenzo[c]isoxazole

A: 480-93-3
indoxyl

B: 482-89-3
1H,1H'-2,2'-Biindolylidene-3,3'-dione

: 25784-00-3
2-((2-hydroxyethyl)amino)benzoic acid

: 480-93-3
indoxyl

Conditions

Conditions	Yield
Alkalischmelze;
bei der Alkalischmelze;

: 64377-71-5
2-(2-cyanophenylamino)acetic acid

: 480-93-3
indoxyl

Conditions

Conditions	Yield
With water

: 1147-65-5
2-(carboxyphenyl)iminodiacetic acid

: 480-93-3
indoxyl

: acetic acid-(2-glycoloyl-anilide)

: furan-2,3,5(4H)-trione pyridine (1:1)

: 480-93-3
indoxyl

: 872276-42-1
1-(2-amino-phenyl)-2-hydroxy-ethanone

: furan-2,3,5(4H)-trione pyridine (1:1)

: 480-93-3
indoxyl

Conditions

Conditions	Yield
bei Luftabschluss;

: 52589-82-9
N-(hydroxyacetyl)anthranilic acid

: 480-93-3
indoxyl

Conditions

Conditions	Yield
With potassium hydroxide

: N-phenyl-N-(N-phenyl-glycyl)-glycine

: 480-93-3
indoxyl

Conditions

Conditions	Yield
With potassium hydroxide; sodium amide
With potassium cyanide

: 34827-82-2
N,N'-bis(carboxyphenyl)ethylenediamine

: 480-93-3
indoxyl

Conditions

Conditions	Yield
With potassium hydroxide

: 103-01-5
N-Phenylglycine

: 480-93-3
indoxyl

Conditions

Conditions	Yield
With potassium hydroxide
With sodium amide
With alkali metal evtl. in Gegenwart von Aetzkalien oder Alkalicyaniden;

: 122-98-5
2-Anilinoethanol

: 480-93-3
indoxyl

Conditions

Conditions	Yield
Alkalischmelze;

: 482-89-3
1H,1H'-2,2'-Biindolylidene-3,3'-dione

: 480-93-3
indoxyl

Conditions

Conditions	Yield
With potassium hydroxide

: 3260-61-5
indolin-3-one

: 480-93-3
indoxyl

Conditions

Conditions	Yield
In water at 25℃; Equilibrium constant; other solvents;

: 6245-93-8
3-hydroxy-1H-indole-2-carboxylic acid

: 7732-18-5
water

: 480-93-3
indoxyl

: 120-72-9
indole

: 7722-84-1
dihydrogen peroxide

: 480-93-3
indoxyl

: 15414-78-5
1-phenylhydantoin

alkaliamide: alkaliamide

: 480-93-3
indoxyl

Conditions

Conditions	Yield
durch Schmelzen;

alkali compound of N-phenyl-glycine: alkali compound of N-phenyl-glycine

: 480-93-3
indoxyl

Conditions

Conditions	Yield
With alkali metal evtl. in Gegenwart von Aetzkalien oder Alkalicyaniden;
With alkaline earth metal evtl. in Gegenwart von Aetzkalien oder Alkalicyaniden;
With alkali metal evtl. in Gegenwart von Aetzkalien oder Alkalicyaniden;
With alkaline earth metal evtl. in Gegenwart von Aetzkalien oder Alkalicyaniden;

: 15414-78-5
1-phenylhydantoin

alkali hydroxide: alkali hydroxide

: 480-93-3
indoxyl

Conditions

Conditions	Yield
durch Schmelzen;

: 15414-78-5
1-phenylhydantoin

alkali metal: alkali metal

: 480-93-3
indoxyl

Conditions

Conditions	Yield
durch Schmelzen;

: 480-93-3
indoxyl

: 100-52-7
benzaldehyde

: 109-77-3
malononitrile

: 790693-63-9
2-amino-4,5-dihydro-4-phenylpyrano[3,2-b]indole-3-carbonitrile

Conditions

Conditions	Yield
With triphenylphosphine In ethanol; water at 60℃; for 0.666667h; Catalytic behavior; Solvent; Reagent/catalyst; Green chemistry;	92%
With silica supported 1-methyl-3-(triethoxysilylpropyl)imidazolium hydrogensulfate In acetonitrile at 80℃;	90%
With potassium dihydrogenphosphate In ethanol at 60℃; for 0.5h; Sonication;	88%

...Expand

: 480-93-3
indoxyl

: 1122-91-4
4-bromo-benzaldehyde

: 109-77-3
malononitrile

: 1385032-03-0
2-amino-4,5-dihydro-4-(4-bromophenyl)pyrano[3,2-b]indole-3-carbonitrile

Conditions

Conditions	Yield
With potassium dihydrogenphosphate In ethanol at 60℃; for 0.5h; Sonication;	92%
With triphenylphosphine In ethanol; water at 60℃; for 0.5h; Green chemistry;	91%
With silica supported 1-methyl-3-(triethoxysilylpropyl)imidazolium hydrogensulfate In acetonitrile at 80℃;	90%

...Expand

: 480-93-3
indoxyl

: 459-57-4
4-fluorobenzaldehyde

: 109-77-3
malononitrile

: 2-amino-4,5-dihydro-4-(4-fluorophenyl)pyrano[3,2-b]indole-3-carbonitrile

Conditions

Conditions	Yield
With triphenylphosphine In ethanol; water at 60℃; for 0.5h; Green chemistry;	92%

...Expand

: 480-93-3
indoxyl

: 104-88-1
4-chlorobenzaldehyde

: 109-77-3
malononitrile

: 1385032-05-2
2-amino-4,5-dihydro-4-(4-chlorophenyl)pyrano[3,2-b]indole-3-carbonitrile

Conditions

Conditions	Yield
With triphenylphosphine In ethanol; water at 60℃; for 0.5h; Green chemistry;	91%
With silica supported 1-methyl-3-(triethoxysilylpropyl)imidazolium hydrogensulfate In acetonitrile at 80℃;	90%
With potassium dihydrogenphosphate In ethanol at 60℃; for 0.5h; Sonication;	90%

...Expand

: 480-93-3
indoxyl

: 555-16-8
4-nitrobenzaldehdye

: 109-77-3
malononitrile

: 1385032-07-4
2-amino-4,5-dihydro-4-(4-nitrophenyl)pyrano[3,2-b]indole-3-carbonitrile

Conditions

Conditions	Yield
With potassium dihydrogenphosphate In ethanol at 60℃; for 0.5h; Sonication;	90%
With triphenylphosphine In ethanol; water at 60℃; for 0.5h; Green chemistry;	90%
With silica supported 1-methyl-3-(triethoxysilylpropyl)imidazolium hydrogensulfate In acetonitrile at 80℃;	85%

...Expand

: 480-93-3
indoxyl

: 6630-33-7
ortho-bromobenzaldehyde

: 109-77-3
malononitrile

: 1385032-04-1
2-amino-4-(2-bromophenyl)-4,5-dihydropyrano[3,2-b]indole-3-carbonitrile

Conditions

Conditions	Yield
With potassium dihydrogenphosphate In ethanol at 60℃; for 0.5h; Sonication;	90%
With silica supported 1-methyl-3-(triethoxysilylpropyl)imidazolium hydrogensulfate In acetonitrile at 80℃;	86%

...Expand

: 480-93-3
indoxyl

: 552-89-6
2-nitro-benzaldehyde

: 109-77-3
malononitrile

: 1385032-08-5
2-amino-4,5-dihydro-4-(2-nitrophenyl)pyrano[3,2-b]indole-3-carbonitrile

Conditions

Conditions	Yield
With triphenylphosphine In ethanol; water at 60℃; for 0.666667h; Green chemistry;	89%
With silica supported 1-methyl-3-(triethoxysilylpropyl)imidazolium hydrogensulfate In acetonitrile at 80℃;	88%
With potassium dihydrogenphosphate In ethanol at 60℃; for 0.5h; Sonication;	87%

...Expand

: 3132-99-8
m-bromobenzoic aldehyde

: 480-93-3
indoxyl

: 109-77-3
malononitrile

: 2-amino-4,5-dihydro-4-(3-bromophenyl)pyrano[3,2-b]indole-3-carbonitrile

Conditions

Conditions	Yield
With triphenylphosphine In ethanol; water at 60℃; for 0.5h; Green chemistry;	89%

...Expand

: 480-93-3
indoxyl

: 104-87-0
4-methyl-benzaldehyde

: 109-77-3
malononitrile

: 1385032-02-9
2-amino-4,5-dihydro-4-(4-methylphenyl)pyrano[3,2-b]indole-3-carbonitrile

Conditions

Conditions	Yield
With potassium dihydrogenphosphate In ethanol at 60℃; for 0.5h; Sonication;	88%
With triphenylphosphine In ethanol; water at 60℃; for 0.833333h; Green chemistry;	86%
With silica supported 1-methyl-3-(triethoxysilylpropyl)imidazolium hydrogensulfate In acetonitrile at 80℃;	85%

...Expand

: 480-93-3
indoxyl

: 105-07-7
4-cyanobenzaldehyde

: 109-77-3
malononitrile

: 2-amino-4,5-dihydro-4-(4-cyanophenyl)pyrano[3,2-b]indole-3-carbonitrile

Conditions

Conditions	Yield
With triphenylphosphine In ethanol; water at 60℃; for 0.666667h; Green chemistry;	88%

...Expand

: 480-93-3
indoxyl

: 89-98-5
2-chloro-benzaldehyde

: 109-77-3
malononitrile

: 1385032-06-3
2-amino-4,5-dihydro-4-(2-chlorophenyl)pyrano[3,2-b]indole-3-carbonitrile

Conditions

Conditions	Yield
With triphenylphosphine In ethanol; water at 60℃; for 0.833333h; Green chemistry;	87%
With silica supported 1-methyl-3-(triethoxysilylpropyl)imidazolium hydrogensulfate In acetonitrile at 80℃;	86%
With potassium dihydrogenphosphate In ethanol at 60℃; for 0.5h; Sonication;	86%

...Expand

: 480-93-3
indoxyl

: 620-23-5
m-tolyl aldehyde

: 109-77-3
malononitrile

: 2-amino-4,5-dihydro-4-(3-methylphenyl)pyrano[3,2-b]indole-3-carbonitrile

Conditions

Conditions	Yield
With triphenylphosphine In ethanol; water at 60℃; for 0.833333h; Green chemistry;	87%

...Expand

: 480-93-3
indoxyl

: 123-11-5
4-methoxy-benzaldehyde

: 109-77-3
malononitrile

: 1385032-01-8
2-amino-4,5-dihydro-4-(4-methoxyphenyl)pyrano[3,2-b]indole-3-carbonitrile

Conditions

Conditions	Yield
With potassium dihydrogenphosphate In ethanol at 60℃; for 0.5h; Sonication;	85%
With silica supported 1-methyl-3-(triethoxysilylpropyl)imidazolium hydrogensulfate In acetonitrile at 80℃;	84%

...Expand

: 480-93-3
indoxyl

: 100-10-7
4-dimethylamino-benzaldehyde

: 109-77-3
malononitrile

: 2-amino-4,5-dihydro-4-(4-N,N-dimethylaminophenyl)pyrano[3,2-b]indole-3-carbonitrile

Conditions

Conditions	Yield
With triphenylphosphine In ethanol; water at 60℃; for 0.833333h; Green chemistry;	85%

...Expand

: 6642-31-5
6-Amino-1,3-dimethylbarbituric acid

: 480-93-3
indoxyl

: 6-amino-5-(3-hydroxy-indol-1-yl)-1,3-dimethyl-1H-pyrimidine-2,4-dione

Conditions

Conditions	Yield
With silver; tetrabutylammomium bromide In dimethyl sulfoxide at 70℃; for 11h; Milling;	56%

3-Hydroxyindole Specification

The CAS registry number of 3-Hydroxyindole is 480-93-3. The IUPAC name is 1H-indol-3-ol. In addition, it is a kind of green shiny needles with the molecular formula C₈H₇NO. Moreover, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 6.9; (6)ACD/BCF (pH 7.4): 6.9; (7)ACD/KOC (pH 5.5): 138.65; (8)ACD/KOC (pH 7.4): 138.63; (9)H bond acceptors: 2; (10)H bond donors: 2; (11)Freely Rotating Bonds: 1; (12)Polar Surface Area: 14.16 Å²; (13)Index of Refraction: 1.739; (14)Molar Refractivity: 40.41 cm³; (15)Molar Volume: 100.3 cm³; (16)Polarizability: 16.01×10^-24cm³; (17)Surface Tension: 65.8 dyne/cm; (18)Density: 1.327 g/cm³; (19)Flash Point: 161.4 °C; (20)Enthalpy of Vaporization: 61.03 kJ/mol; (21)Boiling Point: 343.2 °C at 760 mmHg; (22)Vapour Pressure: 3.61E-05 mmHg at 25 °C.

Preparation of 3-Hydroxyindole: this chemical can be prepared by Ethyl o-azidobenzoyl(phenyl)acetate. The other product is benzo[c]isoxazol-3-yl-phenyl-acetic acid ethyl ester. This reaction needs spray vacuum pyrolysis. The reaction time is 1 hour at temperature of 350 °C. And the yield is 30 %.

3-Hydroxyindole can be prepared by Ethyl o-azidobenzoyl(phenyl)acetate. The other product is benzo[c]isoxazol-3-yl-phenyl-acetic acid ethyl ester.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc2c1ccccc1nc2
(2)Std. InChI: InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H
(3)Std. InChIKey: PCKPVGOLPKLUHR-UHFFFAOYSA-N

Product Name

1H-Indol-3-ol

Synthetic route

3-Hydroxyindole Specification

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