3-Propylnaphthalen-2-ol

Base Information

• Chemical Name: 3-Propylnaphthalen-2-ol
• CAS No.: 14461-81-5
• Molecular Formula: C₁₃H₁₄O
• Molecular Weight: 186.254
• DSSTox Substance ID: DTXSID70162765
• Mol file: 14461-81-5.mol

Synonyms:3-propylnaphthalen-2-ol;2-Naphthol, 3-propyl-;14461-81-5;3-Propyl-2-naphthol;SCHEMBL20552943;DTXSID70162765;AKOS034099563;EN300-861970;Z1513823533

Chemical Property of 3-Propylnaphthalen-2-ol

Chemical Property:

• Vapor Pressure: 0.000108mmHg at 25°C
• Boiling Point: 327.2°Cat760mmHg
• Flash Point: 156.7°C
• Density: 1.087g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 186.104465066
• Heavy Atom Count: 14
• Complexity: 178

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC2=CC=CC=C2C=C1O

Technology Process of 3-Propylnaphthalen-2-ol

There total 6 articles about 3-Propylnaphthalen-2-ol 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: 91.0%

2-(2-ethynylphenyl)-3-propyloxirane → 3-propylnaphthalen-2-ol (14461-81-5)

Guidance literature:

With [(tris(1-pyrazolyl)borate)Ru(P(phenyl)3)(CH₃CN)2]PF₆; In toluene; at 100 ℃; for 3h;

DOI:10.1021/ja049943c

Reference yield: 76.0%

1-(o-ethynylphenyl)-pent-1-ene (852281-24-4) → 3-propylnaphthalen-2-ol (14461-81-5)

Guidance literature:

With pyridine N-oxide; chlorobis(ethylene)rhodium(I) dimer; sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate; In chlorobenzene; at 100 ℃; for 12h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.8b02786

Reference yield:

2‐bromo‐3‐methoxynaphthalene (68251-77-4) + isopropylmagnesium bromide (920-39-8) → 3-propylnaphthalen-2-ol (14461-81-5) + 3-isopropylnaphthalen-2-ol (60683-46-7)

Guidance literature:

2‐bromo‐3‐methoxynaphthalene; isopropylmagnesium bromide; With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; XPhos; In tetrahydrofuran; at 70 ℃; for 6h; Inert atmosphere;

With boron tribromide; In dichloromethane; at 0 - 20 ℃; for 15h; Overall yield = 2.3 g; Inert atmosphere;

upstream raw materials:

2-Methoxynaphthalene

1-(o-ethynylphenyl)-pent-1-ene

2‐bromo‐3‐methoxynaphthalene

isopropylmagnesium bromide

Downstream raw materials:

3-Methoxy-4-(3-propyl-naphthalen-2-yloxymethyl)-benzoic acid