1-(2,2-Dimethoxyethoxy)-2-methylbenzene

Base Information

• Chemical Name: 1-(2,2-Dimethoxyethoxy)-2-methylbenzene
• CAS No.: 95333-18-9
• Molecular Formula: C11H16O3
• Molecular Weight: 196.246
• Hs Code.: 2911000000
• DSSTox Substance ID: DTXSID50391177
• Wikidata: Q82188448
• Mol file: 95333-18-9.mol

Synonyms:1-(2,2-dimethoxyethoxy)-2-methylbenzene;95333-18-9;1-(2,2-Dimethoxy-ethoxy)-2-methyl-benzene;DTXSID50391177;AKOS005107513;MS-1755;1-(2,2-Dimethoxy-ethoxy)-2-methylbenzene;FT-0690591

Chemical Property of 1-(2,2-Dimethoxyethoxy)-2-methylbenzene

Chemical Property:

• PSA: 27.69000
• LogP: 1.99270
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 196.109944368
• Heavy Atom Count: 14
• Complexity: 146

Purity/Quality:

97% ^*data from raw suppliers

1-(2,2-DIMETHOXY-ETHOXY)-2-METHYL-BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1OCC(OC)OC

Technology Process of 1-(2,2-Dimethoxyethoxy)-2-methylbenzene

There total 3 articles about 1-(2,2-Dimethoxyethoxy)-2-methylbenzene 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%

(2-methylphenoxy)acetaldehyde (99179-39-2) + trimethyl orthoformate (149-73-5) → 2-methylphenoxyacetaldehyde dimethyl acetal (95333-18-9)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; at 50 ℃;

DOI:10.1007/BF00807397

Reference yield: 62.0%

1-bromo-2,2-dimethoxyethane (7252-83-7) + ortho-cresol (95-48-7,77504-84-8) → 2-methylphenoxyacetaldehyde dimethyl acetal (95333-18-9)

Guidance literature:

With sodium ethanolate; for 20h; Heating;

DOI:10.1039/P29840001479

Reference yield:

allyl o-tolyl ether (936-72-1) → 2-methylphenoxyacetaldehyde dimethyl acetal (95333-18-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) O₃, 2.) Me₂S / 1.) CH₂Cl₂, MeOH, -40 deg C, 2.) -40 deg C to room temp.

2: 75 percent / p-TsOH / methanol / 50 °C

With dimethylsulfide; toluene-4-sulfonic acid; ozone; In methanol;

DOI:10.1007/BF00807397

upstream raw materials:

1-bromo-2,2-dimethoxyethane

ortho-cresol

(2-methylphenoxy)acetaldehyde

trimethyl orthoformate

Downstream raw materials:

7-benzofuranylcarboxylic acid

7-methylbenzofuran

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