1H-Indole-3-acetaldehyde supplier

Name
2-(1H-indol-3-yl)acetaldehyde
EINECS
CAS No. 2591-98-2
Article Data51
CAS DataBase
Density 1.205 g/cm³
Solubility
Melting Point
Formula C₁₀H₉NO
Boiling Point 352.7 °C at 760 mmHg
Molecular Weight 159.188
Flash Point 174.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(3-Indolyl)acetaldehyde;Indole-3-acetaldehyde(6CI,7CI,8CI);Indol-3-ylacetaldehyde;Tryptaldehyde;
PSA 32.86000
LogP 1.90930

Synthetic route

: 526-55-6
2-(3-indole)-ethanol

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In acetonitrile at 80℃; for 2h;	99%
With 2-iodoxybenzoic acid In acetonitrile at 80℃; for 3h;	91%
With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In dimethyl sulfoxide	87%

: 132922-37-3
2-(1H-indol-3-yl)-N-methoxy-N-methyl-acetamide

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; for 0.75h;	80%
Stage #1: 2-(1H-indol-3-yl)-N-methoxy-N-methyl-acetamide With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; for 1h; Stage #2: With potassium hydrogensulfate; water In tetrahydrofuran
With diisobutylaluminium hydride In dichloromethane; toluene at -78℃; for 1h; Inert atmosphere;

: 87-51-4
indole-3-acetic acid

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
With diisobutylaluminium hydride at -78℃;	75%
Multi-step reaction with 2 steps 1: 94.4 percent / 5percent H2SO4 / 1 h / Ambient temperature 2: 75 percent / 25percent DIBAL / CH2Cl2; 1,2-dimethoxy-ethane; toluene / 1 h / -78 °C View Scheme
Multi-step reaction with 2 steps 1: 84 percent / DCC, NEt3 / CH2Cl2 / 2 h / Ambient temperature 2: 80 percent / LiAlH4 / tetrahydrofuran / 0.75 h / 0 °C View Scheme

: 1912-33-0
Indole-3-acetic acid methyl ester

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
With diisobutylaluminium hydride In 1,2-dimethoxyethane; dichloromethane; toluene at -78℃; for 1h;	75%
With diisobutylaluminium hydride
Multi-step reaction with 2 steps 1: diisobutylaluminium hydride / tetrahydrofuran; toluene / 20 °C 2: 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione / acetonitrile / 2 h / 80 °C View Scheme
With diisobutylaluminium hydride
Multi-step reaction with 2 steps 1: lithium aluminium tetrahydride / tetrahydrofuran 2: 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione / dimethyl sulfoxide View Scheme

: 73-22-3
L-Tryptophan

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
With sodium hypochlorite In aq. phosphate buffer; water at 37℃;	72%
With sodium hypochlorite	10%
With peroxomonophosphoric acid In water at 35℃; Rate constant; Kinetics; Thermodynamic data; other reaction temperatures, times and pH, addition of NaClO4; E(excit.), ΔS(excit.); mechanism; oxidation rate vs. pH at different temperatures;
With perchloric acid; hexacyanoferrate(III); palladium dichloride In water at 25℃; for 24h; Kinetics; Mechanism;
With tryptophan lyase wild type; S-Adenosyl-L-methionine; dithionite(2-) In aq. phosphate buffer for 2h; pH=7.5; Catalytic behavior; Reagent/catalyst; Inert atmosphere;

: 771-51-7
indole-3-acetonitrile

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
With diisobutylaluminium hydride In benzene at 0℃; for 1h;	66%
With diisobutylaluminium hydride In dichloromethane; toluene at -78 - -50℃; Inert atmosphere;	33%
Multi-step reaction with 2 steps 1: Raney nickel; methanol; acetic acid / 40 °C / 80905.8 Torr / Hydrogenation 2: diethyl ether; water; hydrochloric acid View Scheme
Stage #1: indole-3-acetonitrile With diisobutylaluminium hydride In toluene at -78℃; for 0.333333h; Inert atmosphere; Stage #2: With hydrogenchloride; water In toluene Inert atmosphere; Cooling with ice;

: 1373432-52-0
S-ethyl 2-(1H-indol-3-yl)ethanethioate

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
With triethylsilane; palladium 10% on activated carbon In acetone at 0 - 18℃;	49%

: 54-12-6
Trp

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
With sodium hypochlorite In water; benzene at 43 - 45℃; for 0.583333h; pH 9-10;	44%
With Flavin mononucleotide In water Mechanism; Irradiation; var. flavin;	7.4%
With flavin adenine dinucleotide In water Irradiation; N2;	4%
With sodium hypochlorite; water; benzene at 50℃;

: 61-54-1
tryptamine

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
biochemischen Oxydation in Gegenwart von Aminoxydase-und Katalase-Praeparaten in Phosphatpuffer-Loesung bei pH 7;
With Lathyrus cicera copper amine oxidase at 25℃; pH=7.2; Kinetics; Concentration; pH-value; aq. phosphate buffer;
With 4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one; N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-methylaniline sodium salt dihydrate; oxygen In aq. phosphate buffer pH=7.0; Enzymatic reaction;

: 6547-98-4
3-indol-3-yl-propane-1,2-diol

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
With sodium periodate; water

: 412311-21-8
3-(1,3-diphenyl-imidazolidin-2-ylmethyl)-indole

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
With hydrogenchloride; diethyl ether; water

: 2776-06-9
(1H-Indol-3-yl)acetaldehyde oxime

A: 2591-98-2
indole-3-acetaldehyde

B: 87-51-4
indole-3-acetic acid

Conditions

Conditions	Yield
With Tris-HCl buffer; ethylenediaminetetraacetic acid; GLUTATHIONE; NAD at 35℃; for 6h; investigation of enzyme, concentration, pH and buffer;

: 392-12-1
Indole-3-pyruvic acid

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
In water Irradiation;

: 73-22-3, 6912-86-3, 54-12-6, 153-94-6, 63148-28-7, 65556-72-1
L-tryptophan

: 65-71-4
thymin

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
In water for 10h; Mechanism; Irradiation;

: 54-12-6
Trp

A: 2591-98-2
indole-3-acetaldehyde

B: 87-51-4
indole-3-acetic acid

Conditions

Conditions	Yield
With cetyltrimethylammonim bromide; coenzyme PQQ In water at 30℃; for 24h; Yield given. Yields of byproduct given;

: 778-82-5
ethyl 3-indoleacetate

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
With diisobutylaluminium hydride In 1,2-dimethoxyethane; toluene at -78℃; Reduction;

: 7732-18-5
water

: 73-22-3
L-Tryptophan

NaClO: NaClO

: 2591-98-2
indole-3-acetaldehyde

...Expand

: 871023-09-5
2-imino-3-(indol-3-yl)propanoic acid

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: H2O 2: H2O / Irradiation View Scheme

: 120-72-9
indole

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: benzene; ethyl magnesium bromide; diethyl ether / anschl. mit Allylbromid 2: pyridine; diethyl ether; osmium(VIII)-oxide / -30 °C 3: sodium periodate; water View Scheme
Multi-step reaction with 3 steps 1.1: trichlorophosphate / 0.17 h / 0 °C 1.2: 2 h / 45 °C 2.1: n-butyllithium / tetrahydrofuran / 0.25 h / 0 °C / Inert atmosphere 2.2: 2 h / 20 °C 3.1: hydrogenchloride / water / 3 h / Reflux View Scheme
Multi-step reaction with 3 steps 1.1: diethyl ether / 6 h / 0 - 20 °C 1.2: 0.5 h / 0 °C 2.1: lithium aluminium tetrahydride / tetrahydrofuran / 5 h / 0 - 70 °C / Inert atmosphere 3.1: dimethyl sulfoxide / 1.5 h View Scheme

: 16886-09-2
3-allylindole

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: pyridine; diethyl ether; osmium(VIII)-oxide / -30 °C 2: sodium periodate; water View Scheme

: 73-22-3
L-Tryptophan

A: 2591-98-2
indole-3-acetaldehyde

B: 87-51-4
indole-3-acetic acid

Conditions

Conditions	Yield
With thia-containing Schiff-base iron(III) complex adsorbed on glassy carbon electrode Kinetics; Electrochemical reaction; aq. buffer;

: 2776-06-9
(1H-Indol-3-yl)acetaldehyde oxime

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: Sclerotinia sclerotiorum indolyl-3-acetaldoxime dehydratase / 1 h / 23 °C / pH 7.5 / aq. buffer; Darkness; Enzymatic reaction 2.1: diisobutylaluminium hydride / toluene / 0.33 h / -78 °C / Inert atmosphere 2.2: Inert atmosphere; Cooling with ice View Scheme

: 54-12-6
Trp

A: 487-89-8
Indole-3-carboxaldehyde

B: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
Stage #1: Trp With C22H20FeN4O4; sodium hydroxide In water at 20℃; for 24h; Inert atmosphere; Stage #2: With hydrogenchloride In water pH=2 - 3;

: C11H11NO

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
With hydrogenchloride In water for 3h; Reflux;

: 487-89-8
Indole-3-carboxaldehyde

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran / 0.25 h / 0 °C / Inert atmosphere 1.2: 2 h / 20 °C 2.1: hydrogenchloride / water / 3 h / Reflux View Scheme

: 84771-20-0
2,5-dioxopyrrolidin-1-yl (((9H-fluoren-9-yl)methoxy)carbonyl)-L-tryptophanate

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium hydrogen sulfide / ethanol / 8 h / 20 °C 2: pyrrolidine / N,N-dimethyl-formamide / 4 h / 20 °C 3: tryptophan lyase wild type; S-Adenosyl-L-methionine; dithionite(2-) / aq. phosphate buffer / 2 h / pH 7.5 / Inert atmosphere; Enzymatic reaction View Scheme

: (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(1H-indol-3-yl)propanethioic acid

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: pyrrolidine / N,N-dimethyl-formamide / 4 h / 20 °C 2: tryptophan lyase wild type; S-Adenosyl-L-methionine; dithionite(2-) / aq. phosphate buffer / 2 h / pH 7.5 / Inert atmosphere; Enzymatic reaction View Scheme

: C11H12N2OS

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
With tryptophan lyase wild type; S-Adenosyl-L-methionine; dithionite(2-) In aq. phosphate buffer for 2h; pH=7.5; Inert atmosphere; Enzymatic reaction;

: 18372-22-0
2-(3-indolyl)oxoacetic acid methyl ester

: 2591-98-2
indole-3-acetaldehyde

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: lithium aluminium tetrahydride / tetrahydrofuran / 5 h / 0 - 70 °C / Inert atmosphere 2: dimethyl sulfoxide / 1.5 h View Scheme

: 110-91-8
morpholine

: 2591-98-2
indole-3-acetaldehyde

: 133846-81-8
(E)-3-<2-(morpholin-4-yl)vinyl>-1H-indole

Conditions

Conditions	Yield
With molecular sieve In diethyl ether for 24h; Ambient temperature;	100%

: 2591-98-2
indole-3-acetaldehyde

: 107-21-1
ethylene glycol

: 3-((1,3-dioxolan-2-yl)methyl)-1H-indole

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In 1,2-dichloro-ethane at 30℃; for 2h;	99%

: 2591-98-2
indole-3-acetaldehyde

: 141-97-9
ethyl acetoacetate

: 101283-44-7
1-Methyl-9H-carbazol-2-carbonsaeure-ethylester

Conditions

Conditions	Yield
With hydrogen bromide In acetonitrile at 80℃; for 2h; Reagent/catalyst;	93%

: 2591-98-2
indole-3-acetaldehyde

: 1227195-11-0
(S)-tert-butyl 4-((((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)amino)-2-((tert-butoxycarbonyl)amino)butanoate

: 1373432-58-6
(S)-tert-butyl-4-((2-(1H-indol-3-yl)ethyl)(((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)amino)-2-((tert-butoxycarbonyl) amino)butanoate

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride In 1,2-dichloro-ethane for 12h;	89%

: 2591-98-2
indole-3-acetaldehyde

: 762-04-9
phosphonic acid diethyl ester

: 163444-17-5
2-iodo-4-(trifluoromethyl)aniline

: diethyl (2-(1H-indol-3-yl)-1-((2-iodo-4-(trifluoromethyl)phenyl)amino)ethyl)phosphonate

Conditions

Conditions	Yield
With titanium(IV) dioxide In neat (no solvent) at 50℃; for 0.5h;	84%

...Expand

: 2591-98-2
indole-3-acetaldehyde

: 1099-45-2
ethyl (triphenylphosphoranylidene)acetate

: (E)-ethyl 4-(1H-indol-3-yl)but-2-enoate

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 2h; Inert atmosphere;	82%

: 2591-98-2
indole-3-acetaldehyde

: 474539-25-8
(1,2,3,4-tetrahydroquinolin-6-yl)carbamic acid tert-butyl ester

: 1135827-85-8
C24H29N3O2

Conditions

Conditions	Yield
With sodium cyanoborohydride; acetic acid In methanol at 20℃; for 18h;	80%

: 2591-98-2
indole-3-acetaldehyde

: (S)-methyl 2-amino-4-azido-2-(4-methoxy-2-nitrophenyl)butanoate

: (S)-methyl 2-((2-(1H-indol-3-yl)ethyl)amino)-4-azido-2-(4-methoxy-2-nitrophenyl)butanoate

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride In dichloromethane at 20℃; for 1h; Inert atmosphere;	78%

: 2591-98-2
indole-3-acetaldehyde

: 622-37-7
Phenyl azide

: 3-(1-phenyl-1H-1,2,3-triazol-4-yl)-1H-indole

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dimethyl sulfoxide at 25℃; for 0.5h; regioselective reaction;	77%

: 2591-98-2
indole-3-acetaldehyde

: 151215-01-9
(4R)-3-((E)-2-BUTENOYL)-4-(PHENYLMETHYL)-2-OXAZOLIDINONE

: (R)-4-benzyl-3-((R)-2-((S)-1-hydroxy-2-(1H-indol-3-yl)ethyl)but-3-enoyl)oxazolidin-2-one

Conditions

Conditions	Yield
Stage #1: (4R)-3-((E)-2-BUTENOYL)-4-(PHENYLMETHYL)-2-OXAZOLIDINONE With di-n-butylboryl trifluoromethanesulfonate In dichloromethane at -78℃; for 0.0833333h; Inert atmosphere; Stage #2: With triethylamine In dichloromethane at -78 - 0℃; Inert atmosphere; Stage #3: indole-3-acetaldehyde In dichloromethane at -78 - 0℃; for 2h; Inert atmosphere;	74%

: 2591-98-2
indole-3-acetaldehyde

: (R)-methyl 2-amino-4-azido-2-(4-methoxy-2-nitrophenyl)butanoate

: (R)-methyl 2-((2-(1H-indol-3-yl)ethyl)amino)-4-azido-2-(4-methoxy-2-nitrophenyl)butanoate

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride In dichloromethane at 20℃; for 1h; Inert atmosphere;	73%

: 2591-98-2
indole-3-acetaldehyde

: 6104-71-8
N-desmethylclozapine

: 8-chloro-11-{4-[2-(1H-indol-3-yl)ethyl]piperazino}-5H-dibenzo[b,e][1,4]diazepine

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride In 1,2-dichloro-ethane	70%

: 2591-98-2
indole-3-acetaldehyde

: 1380097-44-8
(E)-N-methoxy-6-(trimethylsilyl)hex-4-enamide

: benzyl 3-(((2S,3R)-1-methoxy-6-oxo-3-vinylpiperidin-2-yl)methyl)-1H-indole-1-carboxylate

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at -20℃; for 0.333333h; Inert atmosphere;	68%

: 2591-98-2
indole-3-acetaldehyde

: 106-95-6
allyl bromide

: 196929-78-9
(R)-2-methylpropane-2-sulfinamide

: (R)-N-((S)-1-(1H-indol-3-yl)pent-4-en-2-yl)-2-methylpropane-2-sulfinamide

Conditions

Conditions	Yield
Stage #1: indole-3-acetaldehyde; (R)-2-methylpropane-2-sulfinamide With titanium(IV) tetraethanolate; indium In tetrahydrofuran at 23℃; for 3h; Inert atmosphere; Stage #2: allyl bromide In tetrahydrofuran at 60℃; for 20h; Inert atmosphere;	68%

...Expand

: 2591-98-2
indole-3-acetaldehyde

: 67895-57-2
(S)-(1-p-menthen-8-yl)amine

: (S,E)-N-(1-p-menthen-8-yl)-2-(3-indolyl)ethylideneamine

Conditions

Conditions	Yield
In benzene at 5℃; for 2h;	67%

: 2591-98-2
indole-3-acetaldehyde

: 142394-89-6
Methyl (1S,4aS,8aR)-4a,5,6,7,8,8a-hexahydro-1-methyl-1H-pyrano<3,4-c>pyridine-4-carboxylate

: 68780-83-6
2,3-secoajmalicine

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride In dichloromethane at 20℃; for 2h; Inert atmosphere;	67%
With sodium tris(acetoxy)borohydride In dichloromethane at 20℃; for 2h; Inert atmosphere;	67%

: 2591-98-2
indole-3-acetaldehyde

: 65025-45-8
(1S,4aS,8aS)-methyl 1-methyl-4a,5,6,7,8,8a-hexahydro-1H-pyrano [3,4-c]pyridine-4-carboxylate

: 51020-37-2
2,3-seco-2,3-dihydroakuammigine

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride In dichloromethane at 20℃; for 2h; Inert atmosphere;	66%
With sodium tris(acetoxy)borohydride In dichloromethane at 20℃; for 2h; Inert atmosphere;	33 mg

: 2591-98-2
indole-3-acetaldehyde

: endo-benzyl 7-(benzyloxymethyl)-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate

: endo-2-(2-(1H-indol-3-yl)ethyl)-7-(benzyloxymethyl)-2-azabicyclo[2.2.2]oct-5-ene

Conditions

Conditions	Yield
Stage #1: endo-benzyl 7-(benzyloxymethyl)-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate With trimethylsilyl iodide In dichloromethane at 0 - 20℃; for 3h; Inert atmosphere; Stage #2: indole-3-acetaldehyde With sodium tris(acetoxy)borohydride; triethylamine In 1,2-dichloro-ethane at 20℃; for 3h;	62%

: 2591-98-2
indole-3-acetaldehyde

: 5389-87-7
1-chloro-3,7-dimethylocta-2,6-diene

: C20H27NO

Conditions

Conditions	Yield
Stage #1: 1-chloro-3,7-dimethylocta-2,6-diene With chromium dichloride; lithium iodide In tetrahydrofuran at 22℃; for 0.0833333h; Inert atmosphere; Stage #2: indole-3-acetaldehyde In tetrahydrofuran at 22℃; for 3h; Inert atmosphere;	62%

: 2591-98-2
indole-3-acetaldehyde

: C16H17N3O

: C26H26N4O

Conditions

Conditions	Yield
Stage #1: indole-3-acetaldehyde; C16H17N3O With sodium cyanoborohydride; acetic acid In methanol at 20℃; for 18h; Stage #2: With sodium hydrogencarbonate In methanol; water	52%

: 2591-98-2
indole-3-acetaldehyde

: 343338-28-3
(S)-2-methylpropane-2-sulfinamide

: C14H18N2OS

Conditions

Conditions	Yield
With titanium(IV) isopropylate In tetrahydrofuran at 20℃; Inert atmosphere;	48%

: 2591-98-2
indole-3-acetaldehyde

: 109-73-9
N-butylamine

: 14121-19-8
N-(2-(1H-indol-3-yl)ethyl)butan-1-amine

Conditions

Conditions	Yield
Stage #1: indole-3-acetaldehyde; N-butylamine In methanol at 20℃; for 0.166667h; Stage #2: With sodium cyanoborohydride In methanol for 16h; Reflux;	48%

1H-Indole-3-acetaldehyde Specification

The 1H-Indole-3-acetaldehyde, with the CAS registry number 2591-98-2, is also known as 2-(1H-Indol-3-yl)acetaldehyde and Indole3-acetaldehyde. It belongs to the product category of Indole. This chemical's molecular formula is C₁₀H₉NO and molecular weight is 159.1846. What's more, its systematic name is 1H-Indol-3-ylacetaldehyde.

Physical properties about this chemical are: (1)ACD/LogP: 1.70; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.7; (4)ACD/LogD (pH 7.4): 1.7; (5)ACD/BCF (pH 5.5): 11.6; (6) ACD/BCF (pH 7.4): 11.6; (7)ACD/KOC (pH 5.5): 201.15; (8) ACD/KOC (pH 7.4): 201.15; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22 Å²; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 48.26 cm³; (15)Molar Volume: 132 cm³; (16)Polarizability: 19.13×10^-24cm³; (17)Surface Tension: 53 dyne/cm; (18)Density: 1.205 g/cm³; (19)Flash Point: 174.9 °C; (20)Enthalpy of Vaporization: 59.75 kJ/mol; (21)Boiling Point: 352.7 °C at 760 mmHg; (22)Vapour Pressure: 3.78E-05 mmHg at 25 °C.

Preparation of 1H-Indole-3-acetaldehyde: this chemical can be prepared by Indol-3-yl-acetonitrile.
This reaction needs reagent DIBAH and solvent Benzene at temperature of 0 °C. The reaction time is 1 hour. The yield is 66 %.

Uses of 1H-Indole-3-acetaldehyde: it can react with 2-Amino-benzaldehyde to give 3-(1H-Indol-3-yl)quinoline.
The reaction occurs with reagent NaOH and solvent Ethanol other condition of heating for 20 mins. The yield is 32 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=CCc2c1ccccc1nc2
(2) InChI: InChI=1/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2
(3) InChIKey: WHOOUMGHGSPMGR-UHFFFAOYAR

Product Name

2-(1H-indol-3-yl)acetaldehyde

Synthetic route

1H-Indole-3-acetaldehyde Specification

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