Carbonic acid, 2-methoxy-4-methylphenyl methyl ester

Base Information

• Chemical Name: Carbonic acid, 2-methoxy-4-methylphenyl methyl ester
• CAS No.: 132638-45-0
• Molecular Formula: C₁₀H₁₂O₄
• Molecular Weight: 196.203
• European Community (EC) Number: 700-673-7
• DSSTox Substance ID: DTXSID50888951
• Nikkaji Number: J3.474.700H
• Wikidata: Q82868732
• Mol file: 132638-45-0.mol

Synonyms:132638-45-0;CARBONIC ACID, 2-METHOXY-4-METHYLPHENYL METHYL ESTER;2-methoxy-4-methylphenyl methyl carbonate;2-methoxy-4-methyl-phenyl methyl carbonate;SCHEMBL2565359;DTXSID50888951;(2-methoxy-4-methylphenyl) methyl carbonate

Chemical Property of Carbonic acid, 2-methoxy-4-methylphenyl methyl ester

Chemical Property:

• Boiling Point: 274.85-275℃ at 97.6kPa
• Density: 1.29g/cm3 at 25℃
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Carbonic acid, 2-methoxy-4-methylphenyl methyl ester

There total 1 articles about Carbonic acid, 2-methoxy-4-methylphenyl methyl ester 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: 74.0%

2-Methoxy-4-methylphenol (93-51-6) + methyl chloroformate (79-22-1) → 2-methoxy-4-methyl-phenyl methyl carbonate (132638-45-0)

Guidance literature:

With pyridine; dmap; In dichloromethane; at 20 ℃; for 3h;

Reference yield:

2-methoxy-4-methyl-phenyl methyl carbonate (132638-45-0) → isovanillin (621-59-0)

Guidance literature:

Multi-step reaction with 3 steps

1: TiCl₄ / CH₂Cl₂ / Ambient temperature

2: conc. aq. HCl / CH₂Cl₂; diethyl ether / 0.5 h / 0 °C

3: 100 percent / 2N NaOH / Ambient temperature

With hydrogenchloride; sodium hydroxide; titanium tetrachloride; In diethyl ether; dichloromethane;

Reference yield:

2-methoxy-4-methyl-phenyl methyl carbonate (132638-45-0) → 2-methyl-4-methoxy-5-hydroxybenzaldehyde (7721-61-1)

Guidance literature:

Multi-step reaction with 3 steps

1: TiCl₄ / CH₂Cl₂ / Ambient temperature

2: conc. aq. HCl / CH₂Cl₂; diethyl ether / 0.5 h / 0 °C

3: 100 percent / alkaline hydrolysis

With hydrogenchloride; titanium tetrachloride; In diethyl ether; dichloromethane;

upstream raw materials:

2-Methoxy-4-methylphenol

methyl chloroformate

Downstream raw materials:

isovanillin

2-methyl-4-methoxy-5-hydroxybenzaldehyde

4-methoxy-5-methoxycarbonyloxy-2-methylbenzaldehyde