Quinoxalin-6-ylmethanol

Base Information

• Chemical Name: Quinoxalin-6-ylmethanol
• CAS No.: 488834-75-9
• Molecular Formula: C₉H₈N₂O
• Molecular Weight: 160.175
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30423667
• Wikidata: Q82235921
• Mol file: 488834-75-9.mol

Synonyms:quinoxalin-6-ylmethanol;488834-75-9;(Quinoxalin-6-yl)methanol;6-Quinoxalinemethanol;(6-HYDROXYMETHYL)QUINOXALINE;Quinoxalin-6-yl-methanol;6-hydroxymethyl-quinoxaline;SCHEMBL6763074;DTXSID30423667;MFCD06227444;AKOS012172560;AB89631;DS-4939;(6-hydroxymethyl)quinoxaline, AldrichCPR;F16339;A871861;J-524207

Chemical Property of Quinoxalin-6-ylmethanol

Chemical Property:

• Vapor Pressure: 3.26E-05mmHg at 25°C
• Refractive Index: 1.678
• Boiling Point: 340.7 °C at 760 mmHg
• Flash Point: 159.9 °C
• PSA: 46.01000
• Density: 1.293 g/cm³
• LogP: 1.12210
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 160.063662883
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

98%,99%, ^*data from raw suppliers

Quinoxalin-6-ylmethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NC=CN=C2C=C1CO
• Uses: Quinoxalin-6-ylmethanol is a useful chemical for the preparation of quinoline and quinoxaline analogs of combretastatins.

Technology Process of Quinoxalin-6-ylmethanol

There total 5 articles about Quinoxalin-6-ylmethanol 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: 75.0%

quinoxaline-6-carboxylic acid (6925-00-4) → 6-hydroxymethyl-quinoxaline (488834-75-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2004.04.098

Reference yield:

6-methylquinoxaline (6344-72-5) → 6-bromomethyl-quinoxaline (53967-21-8) + 6-hydroxymethyl-quinoxaline (488834-75-9)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In 1,2-dichloro-ethane;

Reference yield:

6-bromomethyl-quinoxaline (53967-21-8) → 6-hydroxymethyl-quinoxaline (488834-75-9)

Guidance literature:

upstream raw materials:

quinoxaline-6-carboxylic acid

3,4-diaminobenzoic acid

6-bromomethyl-quinoxaline

6-methylquinoxaline

Downstream raw materials:

(2E)-1-phenyl-3-(quinoxalin-6-yl)-2-propen-1-one

(2E)-1-(4-methoxyphenyl)-3-(quinoxalin-6-yl)prop-2-en-1-one

(2E)-1-(3,4-dimethoxyphenyl)-3-(quinoxalin-6-yl)prop-2-en-1-one

(2E)-1-(2,5-dimethoxyphenyl)-3-(quinoxalin-6-yl)prop-2-en-1-one

Refernces

• 1、 Perez-Melero, Concepcion,Maya, Ana B.S.,Del Rey, Benedicto,Pelaez, Rafael,Caballero, Esther,Medarde, Manuel. "A new family of quinoline and quinoxaline analogues of combretastatins". . p. 3771 - 3774. Retrieved 2007/10/03.