Benzoic acid, 3,5-dimethoxy-4-(1-methylethyl)-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 3,5-dimethoxy-4-(1-methylethyl)-, methyl ester
• CAS No.: 344396-17-4
• Molecular Formula: C13H18O4
• Molecular Weight: 238.284
• Mol file: 344396-17-4.mol

Synonyms:4-Isopropyl-3,5-dimethoxy-benzoic acid methyl ester;methyl 4-isopropyl-3,5-dimethoxybenzoate;methyl 3,5-dimethoxy-4-isopropyl-benzoate;

Chemical Property of Benzoic acid, 3,5-dimethoxy-4-(1-methylethyl)-, methyl ester

Chemical Property:

• Melting Point: 108 °C
• Boiling Point: 338.3±42.0 °C(Predicted)
• PSA: 44.76000
• Density: 1.057±0.06 g/cm3(Predicted)
• LogP: 2.61380

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Benzoic acid, 3,5-dimethoxy-4-(1-methylethyl)-, methyl ester

There total 9 articles about Benzoic acid, 3,5-dimethoxy-4-(1-methylethyl)-, 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: 97.0%

methanol (67-56-1) + 4-isopropyl-3,5-dimethoxy-benzoic acid 1,1-diethyl-propyl ester → methyl 4-isopropyl-3,5-dimethoxybenzoate (344396-17-4)

Guidance literature:

With hydrogenchloride;

DOI:10.3987/COM-07-S(U)36

Reference yield: 95.0%

isopropylboronic acid (80041-89-0) + methyl 4-bromo-3,5-dimethoxybenzoate (26050-64-6) → methyl 4-isopropyl-3,5-dimethoxybenzoate (344396-17-4)

Guidance literature:

With potassium phosphate monohydrate; bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; C₂₁H₃₇NO₂P₂; In toluene; at 100 ℃; Inert atmosphere;

DOI:10.1002/anie.201411518

Reference yield: 93.0%

3,5-dihydroxy-4-isopropylbenzoic acid + methyl iodide (74-88-4) → methyl 4-isopropyl-3,5-dimethoxybenzoate (344396-17-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

DOI:10.3184/174751915X14241928341993

upstream raw materials:

methyl 3,5-dimethoxy-4-(prop-1-en-2-yl)benzoate

methyl 4-bromo-3,5-dimethoxybenzoate

methyl 3,5-dimethoxybenzoate

methanol

Downstream raw materials:

4-isopropyl-3,5-dimethoxybenzoic acid

C₁₃H₁₇BrO₄

4-isopropyl-3,5-dimethoxy-benzyl alcohol

3,5-dimethoxy-4-(1-methylethyl)benzaldehyde