Quinolin-2-ylmethyl acetate

Base Information

• Chemical Name: Quinolin-2-ylmethyl acetate
• CAS No.: 60483-07-0
• Molecular Formula: C12H11 N O2
• Molecular Weight: 201.225
• Hs Code.: 2933499090
• European Community (EC) Number: 846-021-6
• NSC Number: 118158
• DSSTox Substance ID: DTXSID00297796
• Nikkaji Number: J736.445H
• Wikidata: Q82039182
• Metabolomics Workbench ID: 97841
• Mol file: 60483-07-0.mol

Synonyms:quinolin-2-ylmethyl acetate;60483-07-0;(QUINOLIN-2-YL)METHYL ACETATE;quinoline-2-methanol acetate;QUINOLIN-2-YLMETHYLACETATE;NSC118158;SCHEMBL3951224;DTXSID00297796;NSC-118158;CS-0244270;FT-0729730;EN300-27444

Chemical Property of Quinolin-2-ylmethyl acetate

Chemical Property:

• Vapor Pressure: 0.000805mmHg at 25°C
• Boiling Point: 305.8°C at 760 mmHg
• Flash Point: 138.7°C
• PSA: 39.19000
• Density: 1.186g/cm³
• LogP: 2.29790
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 201.078978594
• Heavy Atom Count: 15
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

QUINOLIN-2-YLMETHYL ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1=NC2=CC=CC=C2C=C1

Technology Process of Quinolin-2-ylmethyl acetate

There total 3 articles about Quinolin-2-ylmethyl acetate 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: 66.0%

2-methylquinoline (91-63-4) + [bis(acetoxy)iodo]benzene (3240-34-4) → quinoline 2-carbaldehyde (5470-96-2) + acetic acid quinolin-2-ylmethyl ether (60483-07-0)

Guidance literature:

In dimethyl sulfoxide; at 120 ℃; for 0.3h; Solvent; Temperature; regioselective reaction; Microwave irradiation; Green chemistry;

DOI:10.1016/j.tetlet.2016.07.107

Reference yield: 52.0%

[bis(acetoxy)iodo]benzene (3240-34-4) + 2-[(trimethylsilyl)methyl]quinoline (65094-35-1) → quinolin-2-ylmethanol (1780-17-2) + acetic acid quinolin-2-ylmethyl ether (60483-07-0)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; dichloromethane; for 20h; Ambient temperature;

DOI:10.3987/com-96-7397

Reference yield:

2-methylquinoline N-oxide (1076-28-4) + chloroform (67-66-3,8013-54-5) + silver nitrate + acetyl chloride (75-36-5) → 2-cyanoquinoline N-oxide (18457-79-9) + acetic acid quinolin-2-ylmethyl ether (60483-07-0)

Guidance literature:

Erhitzen auf Siedetemperatur;

upstream raw materials:

[bis(acetoxy)iodo]benzene

2-[(trimethylsilyl)methyl]quinoline

2-methylquinoline N-oxide

chloroform

Downstream raw materials:

phenyl-carbamic acid-[2]quinolylmethyl ester

2-Chloromethylquinoline

quinolin-2-ylmethanol

2-methylquinoline