3-Isopropoxy-4-methoxybenzoic acid

Base Information

• Chemical Name: 3-Isopropoxy-4-methoxybenzoic acid
• CAS No.: 159783-29-6
• Molecular Formula: C11H14O4
• Molecular Weight: 221.13300
• Hs Code.: 2918999090
• DSSTox Substance ID: DTXSID40371524
• Wikidata: Q82158880
• Mol file: 159783-29-6.mol

Synonyms:3-Isopropoxy-4-methoxybenzoic acid;159783-29-6;4-methoxy-3-propan-2-yloxybenzoic acid;4-methoxy-3-(propan-2-yloxy)benzoic acid;Maybridge1_005105;Benzoic acid, 4-methoxy-3-(1-methylethoxy)-;Oprea1_170964;SCHEMBL3924278;HMS556A01;DTXSID40371524;RWEWUTIPMKOWRT-UHFFFAOYSA-N;MFCD00831064;2-PIPERAZIN-1-YLNICOTINICACID;AKOS000167747;PS-3169;CS-0206236;3-isopropoxy-4-methoxybenzoic acid, AldrichCPR;E97723

Chemical Property of 3-Isopropoxy-4-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 0.000109mmHg at 25°C
• Boiling Point: 323.3oC at 760 mmHg
• Flash Point: 122.2oC
• PSA: 59.42000
• Density: 1.146g/cm3
• LogP: 1.72090
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 210.08920892
• Heavy Atom Count: 15
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

3-Isopropoxy-4-methoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=C(C=CC(=C1)C(=O)O)OC

Technology Process of 3-Isopropoxy-4-methoxybenzoic acid

There total 2 articles about 3-Isopropoxy-4-methoxybenzoic 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: 77.0%

methyl 3-isopropoxy-4-methoxybenzoate (1283420-36-9) → 3-isopropoxy-4-methoxybenzoic acid (159783-29-6)

Guidance literature:

methyl 3-isopropoxy-4-methoxybenzoate; With lithium hydroxide monohydrate; In tetrahydrofuran; water; at 25 ℃; for 12h;

With hydrogenchloride; In tetrahydrofuran; water;

DOI:10.1021/jm500561a

Reference yield:

3-hydroxy-4-methoxybenzoate (6702-50-7) → 3-isopropoxy-4-methoxybenzoic acid (159783-29-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 50 °C / Inert atmosphere

2: lithium hydroxide monohydrate / water; tetrahydrofuran / 12 h / 25 °C

With lithium hydroxide monohydrate; potassium carbonate; In tetrahydrofuran; water; N,N-dimethyl-formamide;

DOI:10.1021/jm500561a

Reference yield:

3-isopropoxy-4-methoxybenzoic acid (159783-29-6) → (3-isopropoxy-4-methoxyphenyl)(1-(3,4,5-trimethoxyphenyl)-1H-pyrrol-3-yl)methanone

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / 1.5 h / Reflux; Inert atmosphere

2: aluminum (III) chloride / 1,2-dichloro-ethane / 0.03 h / 110 °C / Microwave irradiation

With aluminum (III) chloride; thionyl chloride; In 1,2-dichloro-ethane;

DOI:10.1021/jm500561a

upstream raw materials:

methyl 3-isopropoxy-4-methoxybenzoate

3-hydroxy-4-methoxybenzoate

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