2-(3-Hydroxybutyl)phenol

Base Information

• Chemical Name: 2-(3-Hydroxybutyl)phenol
• CAS No.: 6952-32-5
• Molecular Formula: C10H14O2
• Molecular Weight: 166.22
• NSC Number: 61816
• DSSTox Substance ID: DTXSID60289531
• Nikkaji Number: J803.885F
• Mol file: 6952-32-5.mol

Synonyms:2-(3-hydroxybutyl)phenol;6952-32-5;NSC61816;SCHEMBL2486648;DTXSID60289531;NSC-61816;EN300-1848861

Chemical Property of 2-(3-Hydroxybutyl)phenol

Chemical Property:

• Vapor Pressure: 0.000462mmHg at 25°C
• Boiling Point: 301.6°Cat760mmHg
• Flash Point: 145°C
• Density: 1.096g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 125

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC1=CC=CC=C1O)O

Technology Process of 2-(3-Hydroxybutyl)phenol

There total 11 articles about 2-(3-Hydroxybutyl)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: 88.0%

(E)-4-(2-hydroxyphenyl)but-3-en-2-one (6051-53-2) → 4-(2-hydroxyphenyl)butan-2-one (61844-32-4) + o-(3-hydroxybutyl)phenol (6952-32-5)

Guidance literature:

With nickel boride; hydrogen; In methanol; at 25 ℃; for 1h; chemoselective reaction;

DOI:10.1134/S1070428017010055

Reference yield: 80.6%

(E)-4-(2-hydroxyphenyl)but-3-en-2-one (6051-53-2) → o-(3-hydroxybutyl)phenol (6952-32-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 18h; Inert atmosphere; Reflux;

DOI:10.1021/ol102980t

Reference yield:

→ o-(3-hydroxybutyl)phenol (6952-32-5) + rac-rhododendrol (69617-84-1)

Guidance literature:

With 6,7-dichlorobenzo[d][1,2]dioxine-1,4-dione; Heating;

With sodium hydrogencarbonate; In methanol; water; at 50 ℃; Overall yield = 53 %;

upstream raw materials:

1-(benzo[b]furan-2-yl)ethanone

2-(1-hydroxyethyl)-2,3-dihydrobenzofuran

ethanol

(E)-4-(2-hydroxyphenyl)but-3-en-2-one

Downstream raw materials:

2-(3-Propylamino-butyl)-phenol

(E)-1-(2-butenyl)-2-methoxybenzene

2-but-1-enyl-anisole