alpha-(4-Methoxyphenyl)-1H-indole-2-methanol

Base Information

• Chemical Name: alpha-(4-Methoxyphenyl)-1H-indole-2-methanol
• CAS No.: 40900-01-4
• Molecular Formula: C16H15NO2
• Molecular Weight: 253.2958
• NSC Number: 177970
• DSSTox Substance ID: DTXSID90306629
• Nikkaji Number: J323.811C
• Mol file: 40900-01-4.mol

Synonyms:NSC177970;40900-01-4;DTXSID90306629;NSC-177970

Chemical Property of alpha-(4-Methoxyphenyl)-1H-indole-2-methanol

Chemical Property:

• Vapor Pressure: 3.9E-10mmHg at 25°C
• Boiling Point: 482.9°Cat760mmHg
• Flash Point: 245.8°C
• Density: 1.244g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 253.110278721
• Heavy Atom Count: 19
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N2)O

Technology Process of alpha-(4-Methoxyphenyl)-1H-indole-2-methanol

There total 7 articles about alpha-(4-Methoxyphenyl)-1H-indole-2-methanol 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: 51.0%

<1-<(N,N-dimethylamino)methyl>indol-2-yl>(p-methoxyphenyl)methanol (126754-48-1) → indol-2-yl-(4-methoxy-phenyl)-methanol (40900-01-4)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; ethanol; Heating;

DOI:10.1021/jo00298a064

Reference yield:

indole (120-72-9) → indol-2-yl-(4-methoxy-phenyl)-methanol (40900-01-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) n-BuLi / 1.) THF, hexane, -70 deg C, 0.5 h,

With n-butyllithium;

DOI:10.1016/S0040-4039(00)98265-0

Reference yield:

N-(dimethylaminomethyl)indole (5379-79-3) → indol-2-yl-(4-methoxy-phenyl)-methanol (40900-01-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) butyllithium

2: 51 percent / sodium borohydride / ethanol; tetrahydrofuran / Heating

With sodium tetrahydroborate; n-butyllithium; In tetrahydrofuran; ethanol;

DOI:10.1021/jo00298a064

upstream raw materials:

<1-<(N,N-dimethylamino)methyl>indol-2-yl>(p-methoxyphenyl)methanol

4-methoxy-benzaldehyde

indole

N-(dimethylaminomethyl)indole