2,5-Dimethylanisole

Base Information

• Chemical Name: 2,5-Dimethylanisole
• CAS No.: 1706-11-2
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• Hs Code.: 29093090
• European Community (EC) Number: 216-943-8
• UNII: RH47BOM48G
• DSSTox Substance ID: DTXSID20168893
• Nikkaji Number: J149.888F
• Wikidata: Q27288113
• Mol file: 1706-11-2.mol

Synonyms:2,5-Dimethylanisole;1706-11-2;2-Methoxy-1,4-dimethylbenzene;Benzene, 2-methoxy-1,4-dimethyl-;2-Methoxy-p-xylene;3,6-dimethylanisole;UNII-RH47BOM48G;RH47BOM48G;Benzene, 1-methoxy-2,5-dimethyl;EINECS 216-943-8;AI3-21150;2,5-dimethylanisol;2,5-dimethyl-anisole;METHOXY-P-XYLENE;SCHEMBL92174;2,5-Dimethylanisole, 99%;SJZAUIVYZWPNAS-UHFFFAOYSA-;ANISOLE, 2,5-DIMETHYL-;DTXSID20168893;2-Methoxy-1,4-dimethylbenzene #;BAA70611;MFCD00008378;AKOS000121598;CS-W023068;2,5-DIMETHYLPHENOL METHYL ETHER;DS-16442;D2440;FT-0610452;EN300-16140;F14860;J-010634;Q27288113;F1911-8445

Chemical Property of 2,5-Dimethylanisole

Chemical Property:

• Appearance/Colour: Clear colourless to slightly yellowish liquid
• Vapor Pressure: 0.778mmHg at 25°C
• Melting Point: 90-92 °C
• Refractive Index: n20/D 1.514(lit.)
• Boiling Point: 189.699 °C at 760 mmHg
• Flash Point: 66.033 °C
• PSA: 9.23000
• Density: 0.933 g/cm³
• LogP: 2.31200
• Storage Temp.: Store below +30°C.
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

2,5-Dimethylanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C)OC
• Uses: 2,5-Dimethylanisole was used to investigate the temperature dependence of spin-rotational relaxation rate of methyl C-13 in 2, 5-dimethylaniline.

Technology Process of 2,5-Dimethylanisole

There total 12 articles about 2,5-Dimethylanisole 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: 89.0%

2,5-Dimethylphenol (95-87-4) + methyl iodide (74-88-4) → 2,5-Dimethyl-anisol (1706-11-2)

Guidance literature:

2,5-Dimethylphenol; With sodium hydroxide; In tetrahydrofuran; at 50 ℃; for 1h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; at 50 ℃; Inert atmosphere;

DOI:10.1039/c0cc05619g

Reference yield: 81.0%

2,5-Dimethylphenol (95-87-4) + dimethyl sulfate (77-78-1) → 2,5-Dimethyl-anisol (1706-11-2)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; Reflux;

Reference yield: 41.0%

1-iodo-2-methoxy-4-methylbenzene (186583-59-5) + carbonic acid dimethyl ester (616-38-6) → 1-methoxy-2,3,6-trimethylbenzene (21573-36-4) + 2,5-Dimethyl-anisol (1706-11-2)

Guidance literature:

1-iodo-2-methoxy-4-methylbenzene; With tetrabutylammomium bromide; potassium carbonate; palladium dichloride; In N,N-dimethyl acetamide; Schlenk technique; Inert atmosphere;

carbonic acid dimethyl ester; In N,N-dimethyl acetamide; at 105 ℃; for 12h; regioselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1021/jacs.0c13057

upstream raw materials:

2,5-Dimethylphenol

dimethyl sulfate

methanol

(E)-1,4-dimethyl-4-nitrocyclohexa-2,5-dienyl methyl ether

Downstream raw materials:

toluene-4-sulfonic acid-[2-(4-methoxy-2,5-dimethyl-benzoyl)-anilide]

3-chloro-1-(4-methoxy-2,5-dimethyl-phenyl)-propan-1-one

3,6-dimethylcyclohex-2-enone

1-(4-methoxy-2,5-dimethylphenyl)ethanone

Refernces

• 1、 Beil, Sebastian B.,Müller, Timo,Sillart, Sydney B.,Franzmann, Peter,Bomm, Alexander,Holtkamp, Michael,Karst, Uwe,Schade, Wolfgang,Waldvogel, Siegfried R.. "Active Molybdenum-Based Anode for Dehydrogenative Coupling Reactions". supporting information. p. 2450 - 2454. Retrieved 2018/02/09.
• 2、 -. "PROLYL HYDROXYLASE INHIBITORS". Page/Page column 18-19. . Retrieved 2010/07/10.