5-Isopropyl-2,4-dimethoxybenzoic acid

Base Information

• Chemical Name: 5-Isopropyl-2,4-dimethoxybenzoic acid
• CAS No.: 888216-48-6
• Molecular Formula: C12H16 O4
• Molecular Weight: 224.257
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID20696949
• Wikidata: Q82626739
• Mol file: 888216-48-6.mol

Synonyms:888216-48-6;5-ISOPROPYL-2,4-DIMETHOXYBENZOIC ACID;2,4-dimethoxy-5-propan-2-ylbenzoic acid;5-isopropyl-2,4-dimethoxy-benzoic acid;2,4-Dimethoxy-5-(1-methylethyl)benzoic acid;SCHEMBL382778;DTXSID20696949;HBZUUAZIRUJIBP-UHFFFAOYSA-N;BCP20935;2,4-dimethoxy-5-isopropylbenzoic acid;MB11439;2,4-Dimethoxy-5-(propan-2-yl)benzoic acid;5-ISOPROPYL-2,4-DIMETHOXYBENZOICACID;A842950;5-Isopropyl-2,4-dimethoxybenzoic acid;Benzoicacid, 2,4-dimethoxy-5-(1-methylethyl)-

Chemical Property of 5-Isopropyl-2,4-dimethoxybenzoic acid

Chemical Property:

• PSA: 55.76000
• LogP: 2.52540
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 224.10485899
• Heavy Atom Count: 16
• Complexity: 239

Purity/Quality:

97% ^*data from raw suppliers

5-Isopropyl-2,4-dimethoxybenzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC(=C(C=C1OC)OC)C(=O)O

Technology Process of 5-Isopropyl-2,4-dimethoxybenzoic acid

There total 8 articles about 5-Isopropyl-2,4-dimethoxybenzoic acid 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: 98.0%

methyl 5-isopropyl-2,4-dimethoxybenzoate (913000-28-9) → 2,4-dimethoxy-5-isopropylbenzoic acid (888216-48-6)

Guidance literature:

methyl 5-isopropyl-2,4-dimethoxybenzoate; With water; potassium hydroxide; In methanol; for 3h; Reflux;

With hydrogenchloride; water;

Reference yield: 80.0%

5-isopropyl-2,4-dimethoxybenzaldehyde (1071151-44-4) → 2,4-dimethoxy-5-isopropylbenzoic acid (888216-48-6)

Guidance literature:

With potassium permanganate; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

Reference yield:

2,4-bis-benzyloxy-5-isopropenyl-benzoic acid methyl ester (912545-08-5) → 2,4-dimethoxy-5-isopropylbenzoic acid (888216-48-6)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogen / palladium 10% on activated carbon / methanol; ethanol / 20 °C

2: potassium carbonate / acetonitrile / 20 °C / Reflux

3: water; potassium hydroxide / methanol / 3 h / Reflux

With water; hydrogen; potassium carbonate; potassium hydroxide; palladium 10% on activated carbon; In methanol; ethanol; acetonitrile;

upstream raw materials:

methyl 5-isopropyl-2,4-dimethoxybenzoate

5-isopropyl-2,4-dimethoxybenzaldehyde

2-(2,4-dimethoxyphenyl)propan-2-ol

1-isopropyl-2,4-dimethyloxybenzene

Downstream raw materials:

(5-bromo-1,3-dihydro-isoindol-2-yl)-(5-isopropyl-2,4-dimethoxyphenyl)-methanone

Refernces

• 1、 -. "Triazole derivative having HSP90 (Heat Shock Protein) inhibiting activity, as well as preparation method and application of triazole derivative". Paragraph 0125; 0144; 0145; 0146. . Retrieved 2017/08/02.
• 2、 -. "PHARMACEUTICAL COMPOUNDS". Page/Page column 100. . Retrieved 2010/06/22.