3,4-Dimethoxytoluene

Base Information

• Chemical Name: 3,4-Dimethoxytoluene
• CAS No.: 494-99-5
• Molecular Formula: C9H12O2
• Molecular Weight: 152.193
• Hs Code.: 29093090
• European Community (EC) Number: 207-796-0
• NSC Number: 7378
• UNII: 349X0G2SSF
• DSSTox Substance ID: DTXSID8060088
• Nikkaji Number: J5.504B
• Wikidata: Q27256350
• Metabolomics Workbench ID: 129979
• ChEMBL ID: CHEMBL273904
• Mol file: 494-99-5.mol

Synonyms:1,2-dimethoxy-4-methylbenzene;3,4-dimethoxytoluene

Chemical Property of 3,4-Dimethoxytoluene

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.171mmHg at 25°C
• Melting Point: 22-23 °C(lit.)
• Refractive Index: n20/D 1.528(lit.)
• Boiling Point: 219.999 °C at 760 mmHg
• Flash Point: 72.574 °C
• PSA: 18.46000
• Density: 0.99 g/cm³
• LogP: 2.01220
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: insoluble
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

3,?4-?Dimethoxytoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Ethers, Other
• Canonical SMILES: CC1=CC(=C(C=C1)OC)OC
• Uses: 3,4-Dimethoxytoluene was used as an internal standard in HPLC quantifications.

Technology Process of 3,4-Dimethoxytoluene

There total 74 articles about 3,4-Dimethoxytoluene 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: 99.0%

(3,4-dimethoxyphenyl)methanol (93-03-8) → 1,2-dimethoxy-4-methylbenzene (494-99-5)

Guidance literature:

With hydrazine hydrate; C₂₃H₄₀MnNO₂P₂; potassium tert-butylate; In tert-butyl alcohol; at 115 ℃; for 48h; Green chemistry;

DOI:10.1021/acscatal.7b01729

Reference yield: 99.0%

2-bromo-4-methylanisole (22002-45-5) + sodium methylate (124-41-4) → 1,2-dimethoxy-4-methylbenzene (494-99-5)

Guidance literature:

With methanol; Methyl formate; copper(l) chloride; at 115 ℃; for 2h; Autoclave; Green chemistry;

DOI:10.1007/s11164-014-1917-x

Reference yield: 98.0%

1,2-Dimethoxy-4-(phenylsulfonylmethyl)benzene → 1,2-dimethoxy-4-methylbenzene (494-99-5)

Guidance literature:

With ethanol; magnesium; mercury dichloride; In tetrahydrofuran; for 2h; Ambient temperature;

DOI:10.1016/0040-4039(93)88080-3

upstream raw materials:

Papaverine

vanillin

3,4-dimethoxy-benzaldehyde

2-Methoxy-4-methylphenol

Downstream raw materials:

4-(4,5-dimethoxy-2-methyl-phenyl)-4-oxo-butyric acid

bis-(4,5-dimethoxy-2-methyl-phenyl)-methane

(4,5-dimethoxy-2-methylphenyl)(3,4-dimethoxyphenyl)methanone

erythrolaccin

Refernces

• 1、 Cook, Adam,MacLean, Haydn,St. Onge, Piers,Newman, Stephen G.. "Nickel-catalyzed reductive deoxygenation of diverse C-O bond-bearing functional groups". . p. 13337 - 13347. Retrieved 2021/11/20.
• 2、 Jiang, Huifang,Lu, Rui,Luo, Xiaolin,Si, Xiaoqin,Xu, Jie,Lu, Fang. "Molybdenum-Catalyzed Deoxygenation Coupling of Lignin-Derived Alcohols for Functionalized Bibenzyl Chemicals". supporting information. p. 1292 - 1296. Retrieved 2020/12/09.