2-(2,6-Dimethylphenoxy)acetaldehyde

Base Information

• Chemical Name: 2-(2,6-Dimethylphenoxy)acetaldehyde
• CAS No.: 72102-89-7
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• DSSTox Substance ID: DTXSID30888070
• Nikkaji Number: J447.045A
• Wikidata: Q82867542
• Mol file: 72102-89-7.mol

Synonyms:2-(2,6-Dimethylphenoxy)acetaldehyde;72102-89-7;Acetaldehyde, (2,6-dimethylphenoxy)-;Acetaldehyde, 2-(2,6-dimethylphenoxy)-;SCHEMBL2560578;DTXSID30888070;AKOS011010590

Chemical Property of 2-(2,6-Dimethylphenoxy)acetaldehyde

Chemical Property:

• Vapor Pressure: 0.0216mmHg at 25°C
• Boiling Point: 250.5°Cat760mmHg
• Flash Point: 102.8°C
• PSA: 26.30000
• Density: 1.027g/cm³
• LogP: 1.88110
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 135

Purity/Quality:

99% ^*data from raw suppliers

2-(2,6-DIMETHYLPHENOXY)ACETALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)OCC=O

Technology Process of 2-(2,6-Dimethylphenoxy)acetaldehyde

There total 5 articles about 2-(2,6-Dimethylphenoxy)acetaldehyde 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: 100.0%

2-(2,6-dimethylphenoxy)ethanol (16737-71-6) → 2,6-dimethylphenoxyacetaldehyde (72102-89-7)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 - 0 ℃; for 1.66667h;

Reference yield:

ethyl 2-(2,6-dimethylphenoxy)acetate (6279-47-6) → 2,6-dimethylphenoxyacetaldehyde (72102-89-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: lithium aluminium tetrahydride / tetrahydrofuran; diethyl ether / Heating / reflux

1.2: 1 h / 20 °C

2.1: oxalyl dichloride; dimethyl sulfoxide / dichloromethane / 1.67 h / -78 - 0 °C

With lithium aluminium tetrahydride; oxalyl dichloride; dimethyl sulfoxide; In tetrahydrofuran; diethyl ether; dichloromethane;

Reference yield:

2.6-dimethylphenol (576-26-1,25134-01-4) → 2,6-dimethylphenoxyacetaldehyde (72102-89-7)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide

2: sulfuric acid

With sulfuric acid; potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.2298/JSC110321171O

upstream raw materials:

1-allyloxy-2,6-dimethylbenzene

2-(2,6-dimethylphenoxy)ethanol

2.6-dimethylphenol

1-(2,2-diethoxyethoxy)-2,6-dimethylbenzene

Downstream raw materials:

C₁₉H₁₉N₃O₃S

C₁₉H₁₉N₃O₂S₂

2C₁₁H₁₆N₄O₂*H₂O₄S

Refernces

• 1、 -. "SALICYLIC ACID DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THEM". Page/Page column 44-45. . Retrieved 2008/06/13.