3-Formyl-4,6-dihydroxy-2,5-dimethylbenzoic acid methyl ester

Base Information

• Chemical Name: 3-Formyl-4,6-dihydroxy-2,5-dimethylbenzoic acid methyl ester
• CAS No.: 34874-76-5
• Molecular Formula: C11H12O5
• Molecular Weight: 224.213
• Mol file: 34874-76-5.mol

Synonyms:3-Formyl-4,6-dihydroxy-2,5-dimethyl-benzoesaeure-methylester;Benzoic acid,3-formyl-4,6-dihydroxy-2,5-dimethyl-,methyl ester;Methyl-5-formyl-2,4-dihydroxy-3,6-dimethylbenzoat;formyl-3-dihydroxy-4,6-dimethyl-2,5-benzoate de methyle;4.6-Dihydroxy-2.5-dimethyl-isophthalaldehydsaeure-methylester;methyl 3-formyl-4,6-dihydroxy-2,5-dimethylbenzoate;3-formyl-4,6-dihydroxy-2,5-dimethyl-benzoic acid methyl ester;

Chemical Property of 3-Formyl-4,6-dihydroxy-2,5-dimethylbenzoic acid methyl ester

Chemical Property:

• Melting Point: 111-112 °C
• Boiling Point: 422.2±45.0 °C(Predicted)
• PKA: 6.84±0.33(Predicted)
• PSA: 83.83000
• Density: 1.331±0.06 g/cm3(Predicted)
• LogP: 1.31370

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-Formyl-4,6-dihydroxy-2,5-dimethylbenzoic acid methyl ester

There total 8 articles about 3-Formyl-4,6-dihydroxy-2,5-dimethylbenzoic acid 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: 90.0%

hexamethylenetetramine (100-97-0) + 2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester (4707-47-5) → formyl-3-dihydroxy-4,6-dimethyl-2,5-benzoate de methyle (34874-76-5)

Guidance literature:

With trifluoroacetic acid;

DOI:10.1016/S0040-4039(99)01015-1

Reference yield:

methyl orsellinate (3187-58-4) → formyl-3-dihydroxy-4,6-dimethyl-2,5-benzoate de methyle (34874-76-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 80 percent / AlCl₃ / diethyl ether

2: 78 percent / Zn(Hg); HCl / methanol

3: 90 percent / CF₃COOH

With hydrogenchloride; aluminium trichloride; mercury; trifluoroacetic acid; zinc; In methanol; diethyl ether; 1: Formylation / 2: Reduction / 3: Formylation;

DOI:10.1016/S0040-4039(99)01015-1

Reference yield:

methyl haematommate (34874-90-3) → formyl-3-dihydroxy-4,6-dimethyl-2,5-benzoate de methyle (34874-76-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / Zn(Hg); HCl / methanol

2: 90 percent / CF₃COOH

With hydrogenchloride; mercury; trifluoroacetic acid; zinc; In methanol; 1: Reduction / 2: Formylation;

DOI:10.1016/S0040-4039(99)01015-1

upstream raw materials:

2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

methyl 4-hydroxy-2-methoxy-3,6-dimethylbenzoate

hexamethylenetetramine

methyl orsellinate

Downstream raw materials:

methyl 2,4,5-trihydroxy-3,6-dimethylbenzoate

2,4-dihydroxy-3,5,6-trimethylbenzoic acid methylester

formyl-3-dimethoxy-4,6-dimethyl-2,5-benzoate de methyle

pseudocyphellarine B