3-(1H-Pyrrol-1-yl)phenol

Base Information

• Chemical Name: 3-(1H-Pyrrol-1-yl)phenol
• CAS No.: 137352-78-4
• Molecular Formula: C10H9NO
• Molecular Weight: 159.188
• DSSTox Substance ID: DTXSID501313392
• Nikkaji Number: J433.671B
• Mol file: 137352-78-4.mol

Synonyms:3-(1H-Pyrrol-1-yl)phenol;137352-78-4;3-pyrrol-1-ylphenol;SCHEMBL406716;3-(1H-pyrrol-1-yl)-phenol;DTXSID501313392;AKOS000101727;EN300-1601717

Chemical Property of 3-(1H-Pyrrol-1-yl)phenol

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 159.068413911
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CN(C=C1)C2=CC(=CC=C2)O

Technology Process of 3-(1H-Pyrrol-1-yl)phenol

There total 3 articles about 3-(1H-Pyrrol-1-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: 95.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + m-Hydroxyaniline (591-27-5) → 3-(1H-pyrrol-1-yl)phenol (137352-78-4)

Guidance literature:

With nanosulfated titania; In neat (no solvent); at 120 ℃; for 1h;

DOI:10.1007/s10593-014-1425-3

Reference yield: 89.0%

1-(2-cyclohexen-1-on-3-yl)pyrrole-2-carboxylic acid (137777-08-3) → 3-(1H-pyrrol-1-yl)phenol (137352-78-4)

Guidance literature:

With mercury(II) diacetate; sodium acetate; In acetic acid; for 0.5h; Heating;

Reference yield: 75.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + 3-aminophenol hydrochloride (51-81-0) → 3-(1H-pyrrol-1-yl)phenol (137352-78-4)

Guidance literature:

With nicotinamide; In 1,4-dioxane; for 4h; Solvent; Reagent/catalyst; Reflux; Inert atmosphere;

DOI:10.1080/00397911.2012.753460

upstream raw materials:

cis,trans-2,5-dimethoxytetrahydrofuran

m-Hydroxyaniline

1-(2-cyclohexen-1-on-3-yl)pyrrole-2-carboxylic acid

3-aminophenol hydrochloride

Downstream raw materials:

methyl 3-(1H-pyrrol-1-yl)benzoate

3-(N-pyrrolyl)-benzoyl chloride

(E)-4-(3-benzoyl-1H-pyrrol-1-yl)-2-hydroxybenzaldoxime

4-(3-benzoyl-1H-pyrrol-1-yl)-2-hydroxybenzaldehyde