2,4-Dimethoxytoluene

Base Information

• Chemical Name: 2,4-Dimethoxytoluene
• CAS No.: 38064-90-3
• Molecular Formula: C9H12O2
• Molecular Weight: 152.193
• Hs Code.: 2909499000
• NSC Number: 72351
• DSSTox Substance ID: DTXSID70191474
• Nikkaji Number: J633.419I
• Wikidata: Q83063993
• Mol file: 38064-90-3.mol

Synonyms:2,4-Dimethoxytoluene;38064-90-3;2,4-Dimethoxy-1-methylbenzene;Benzene, 2,4-dimethoxy-1-methyl-;NSC72351;MFCD00010749;2,4-Dimethoxytoluene, 99%;SCHEMBL140807;DTXSID70191474;2,4-Dimethoxy-1-methylbenzene #;4-methyl-resorcinol dimethyl ether;Benzene, 1,3-dimethoxy-4-methyl;NSC 72351;NSC-72351;AKOS015851776;BS-51593;CS-0364939;FT-0639428;E83820;EN300-191761

Chemical Property of 2,4-Dimethoxytoluene

Chemical Property:

• Vapor Pressure: 0.271mmHg at 25°C
• Refractive Index: n20/D 1.524(lit.)
• Boiling Point: 110-120 °C30 mm Hg(lit.)
• Flash Point: 199 °F
• PSA: 18.46000
• Density: 1.036 g/mL at 25 °C(lit.)
• LogP: 2.01220
• Storage Temp.: room temp
• XLogP3: 2.8
• 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:

98%,99%, ^*data from raw suppliers

2,4-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:

• Canonical SMILES: CC1=C(C=C(C=C1)OC)OC

Technology Process of 2,4-Dimethoxytoluene

There total 17 articles about 2,4-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: 97.0%

2,4-Dimethoxybenzaldehyde (613-45-6) → 2,4-dimethoxytoluene (38064-90-3)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 0.5h; under 760.051 Torr;

DOI:10.1016/j.tet.2007.06.105

Reference yield: 92.0%

2-chloro-4,6-dimethoxytoluene (82477-58-5) → 2,4-dimethoxytoluene (38064-90-3)

Guidance literature:

With hydrogen; triethylamine; palladium on activated charcoal; In ethanol;

Reference yield: 78.0%

1-Bromo-2,4-dimethoxybenzene (17715-69-4) + dilithium tetramethylzincate → 2,4-dimethoxytoluene (38064-90-3)

Guidance literature:

1-Bromo-2,4-dimethoxybenzene; dilithium tetramethylzincate; In tetrahydrofuran; at 0 ℃; for 2h;

With oxovanadium(V) ethoxydichloride; at 20 ℃; for 5h; Further stages.;

DOI:10.1021/jo000976u

upstream raw materials:

1-Bromo-2,4-dimethoxybenzene

2,4-Dimethoxybenzaldehyde

methanol

p-cresol

Downstream raw materials:

4-methyl resorcinol

2,4-dimethoxy-5-methyl-benzaldehyde

2,6-dimethoxy-3-methylbenzoic acid

2-methoxy-5-methyl-1,4-benzoquinone

Refernces

• 1、 Wu, Zhuo,Wei, Feng,Wan, Bin,Zhang, Yanghui. "Pd-Catalyzed ipso, meta-Dimethylation of ortho-Substituted Iodoarenes via a Base-Controlled C-H Activation Cascade with Dimethyl Carbonate as the Methyl Source". supporting information. p. 4524 - 4530. Retrieved 2021/05/04.
• 2、 Takada,Sakurai,Hirao. "Oxovanadium(V)-induced oxidative ligand coupling of aryltrimethylzincates prepared from bromoarenes and dilithium tetramethylzincate". . p. 300 - 302. Retrieved 2007/10/03.