1-[3-(Pyridin-2-ylmethoxy)phenyl]-hexan-1-ol

Base Information

• Chemical Name: 1-[3-(Pyridin-2-ylmethoxy)phenyl]-hexan-1-ol
• CAS No.: 103119-29-5
• Molecular Formula: C₁₈H₂₃NO₂
• Molecular Weight: 285.386
• ChEMBL ID: CHEMBL8704
• DSSTox Substance ID: DTXSID50543871
• Mol file: 103119-29-5.mol

Synonyms:103119-29-5;1-[3-(pyridin-2-ylmethoxy)phenyl]-hexan-1-ol;CHEMBL8704;SCHEMBL10359970;DTXSID50543871;1-{3-[(Pyridin-2-yl)methoxy]phenyl}hexan-1-ol

Chemical Property of 1-[3-(Pyridin-2-ylmethoxy)phenyl]-hexan-1-ol

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 285.172878976
• Heavy Atom Count: 21
• Complexity: 272

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C1=CC(=CC=C1)OCC2=CC=CC=N2)O

Technology Process of 1-[3-(Pyridin-2-ylmethoxy)phenyl]-hexan-1-ol

There total 3 articles about 1-[3-(Pyridin-2-ylmethoxy)phenyl]-hexan-1-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:

n-pentylmagnesium bromide (693-25-4) → 2-[[3-(1-hydroxyhexyl)phenoxy]methyl]pyridine (103119-29-5)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / 0 - 20 °C

2: CsI, Cs₂CO₃ / acetone / 40 h / Heating

With isocyanate de chlorosulfonyle; caesium carbonate; In diethyl ether; acetone;

DOI:10.1021/jm00384a017

Reference yield:

meta-hydroxybenzaldehyde (100-83-4) → 2-[[3-(1-hydroxyhexyl)phenoxy]methyl]pyridine (103119-29-5)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / 0 - 20 °C

2: CsI, Cs₂CO₃ / acetone / 40 h / Heating

With isocyanate de chlorosulfonyle; caesium carbonate; In diethyl ether; acetone;

DOI:10.1021/jm00384a017

Reference yield:

1-(3-hydroxyphenyl)-1-hexanol (92532-21-3) + 2-chloromethylpyridine hydrochloride (6959-47-3) → 2-[[3-(1-hydroxyhexyl)phenoxy]methyl]pyridine (103119-29-5)

Guidance literature:

With isocyanate de chlorosulfonyle; caesium carbonate; In acetone; for 40h; Heating;

DOI:10.1021/jm00384a017

upstream raw materials:

1-(3-hydroxyphenyl)-1-hexanol

2-chloromethylpyridine hydrochloride

n-pentylmagnesium bromide

meta-hydroxybenzaldehyde