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

Base Information

Chemical Name:2-(1H-indol-3-yl)phenol
CAS No.:70794-13-7
Molecular Formula:C₁₄H₁₁NO
Molecular Weight:209.247
Hs Code.:
ChEMBL ID:CHEMBL4441007

Synonyms:CHEMBL4441007;SCHEMBL17102228

Suppliers and Price of 2-(1H-indol-3-yl)phenol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-(1H-indol-3-yl)phenol

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:209.084063974
Heavy Atom Count:16
Complexity:243

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=CN2)C3=CC=CC=C3O

Technology Process of 2-(1H-indol-3-yl)phenol

There total 14 articles about 2-(1H-indol-3-yl)phenol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 935846-39-2
2-(2-((4-methoxybenzyl)oxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

: 70794-13-7
2-(1H-indol-3-yl)phenol

Guidance literature:: Multi-step reaction with 7 steps

1.1: 81 percent / aq. potassium carbonate / PdCl₂(dppf)*CH₂Cl₂ / 1,2-dimethoxy-ethane / 85 °C

2.1: tert-butyl hypochlorite / CH₂Cl₂ / 4 h / 20 °C

2.2: 87 percent / HCl / ethanol; CH₂Cl₂; diethyl ether

3.1: 97 percent / sodium carbonate / tetrahydrofuran / 3 h / Heating

4.1: sodium borohydride / tetrahydrofuran; methanol / 0.5 h / 0 °C

5.1: 141 mg / triethylamine; methanesulfonic anhydride / CH₂Cl₂ / 0 °C

6.1: 83 percent / aq. cesium carbonate / ethanol / 48 h / 20 °C

7.1: 84 percent / 100 °C

With sodium tetrahydroborate; tert-butylhypochlorite; sodium carbonate; potassium carbonate; caesium carbonate; triethylamine; Methanesulfonic anhydride; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In tetrahydrofuran; methanol; 1,2-dimethoxyethane; ethanol; dichloromethane;
DOI:10.1021/jo062627r

Reference yield:

: 3770-50-1,117770-52-2
2-carbethoxyindole

: 70794-13-7
2-(1H-indol-3-yl)phenol

Guidance literature:: Multi-step reaction with 8 steps

1.1: N-iodosuccinimide / dimethylformamide / 0 - 20 °C

1.2: 93 percent / sodium thiosulfate / dimethylformamide; H₂O / 1 h

2.1: 81 percent / aq. potassium carbonate / PdCl₂(dppf)*CH₂Cl₂ / 1,2-dimethoxy-ethane / 85 °C

3.1: tert-butyl hypochlorite / CH₂Cl₂ / 4 h / 20 °C

3.2: 87 percent / HCl / ethanol; CH₂Cl₂; diethyl ether

4.1: 97 percent / sodium carbonate / tetrahydrofuran / 3 h / Heating

5.1: sodium borohydride / tetrahydrofuran; methanol / 0.5 h / 0 °C

6.1: 141 mg / triethylamine; methanesulfonic anhydride / CH₂Cl₂ / 0 °C

7.1: 83 percent / aq. cesium carbonate / ethanol / 48 h / 20 °C

8.1: 84 percent / 100 °C

With sodium tetrahydroborate; N-iodo-succinimide; tert-butylhypochlorite; sodium carbonate; potassium carbonate; caesium carbonate; triethylamine; Methanesulfonic anhydride; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In tetrahydrofuran; methanol; 1,2-dimethoxyethane; ethanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jo062627r

Reference yield:

: 533-58-4
2-Iodophenol

: 70794-13-7
2-(1H-indol-3-yl)phenol

Guidance literature:: Multi-step reaction with 9 steps

1.1: 99 percent / potassium carbonate; tetra-n-butylammonium iodide; 18-crown-6 / acetone / Heating

2.1: 82 percent / triethylamine; 2-(dicyclohexylphosphino)biphenyl / palladium(II) acetate / dioxane / 0.17 h / 85 °C

3.1: 81 percent / aq. potassium carbonate / PdCl₂(dppf)*CH₂Cl₂ / 1,2-dimethoxy-ethane / 85 °C

4.1: tert-butyl hypochlorite / CH₂Cl₂ / 4 h / 20 °C

4.2: 87 percent / HCl / ethanol; CH₂Cl₂; diethyl ether

5.1: 97 percent / sodium carbonate / tetrahydrofuran / 3 h / Heating

6.1: sodium borohydride / tetrahydrofuran; methanol / 0.5 h / 0 °C

7.1: 141 mg / triethylamine; methanesulfonic anhydride / CH₂Cl₂ / 0 °C

8.1: 83 percent / aq. cesium carbonate / ethanol / 48 h / 20 °C

9.1: 84 percent / 100 °C

With sodium tetrahydroborate; 18-crown-6 ether; tert-butylhypochlorite; tetra-(n-butyl)ammonium iodide; sodium carbonate; potassium carbonate; caesium carbonate; triethylamine; CyJohnPhos; Methanesulfonic anhydride; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; palladium diacetate; In tetrahydrofuran; 1,4-dioxane; methanol; 1,2-dimethoxyethane; ethanol; dichloromethane; acetone;
DOI:10.1021/jo062627r