3,5-Diethoxybenzoic acid

Base Information

• Chemical Name: 3,5-Diethoxybenzoic acid
• CAS No.: 124480-95-1
• Molecular Formula: C11H14 O4
• Molecular Weight: 210.23
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID00352218
• Wikidata: Q82129241
• ChEMBL ID: CHEMBL1308142
• Mol file: 124480-95-1.mol

Synonyms:3,5-diethoxybenzoic acid;124480-95-1;MLS000530637;SMR000135615;Benzoic acid, 3,5-diethoxy-;3,5-Diethoxybenzoicacid;3,5-Diethoxy-benzoic acid;Oprea1_316826;Oprea1_729245;cid_721136;SCHEMBL2655120;CHEMBL1308142;BDBM63008;DTXSID00352218;3,5-Diethoxybenzoic acid, 98%;FCSNGXDTYSQXPA-UHFFFAOYSA-N;HMS2398N20;ZEA48095;MFCD02063084;STK024965;AKOS000109258;AM803075;AS-39461;BB 0245714;CS-0037929;FT-0694580;SR-01000232502;J-005081;SR-01000232502-1

Chemical Property of 3,5-Diethoxybenzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 105-109 °C(lit.)
• Boiling Point: 362.176°C at 760 mmHg
• PKA: 4.00±0.10(Predicted)
• Flash Point: 140.374°C
• PSA: 55.76000
• Density: 1.149g/cm³
• LogP: 2.18220
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 210.08920892
• Heavy Atom Count: 15
• Complexity: 191

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,5-Diethoxybenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC(=CC(=C1)C(=O)O)OCC

Technology Process of 3,5-Diethoxybenzoic acid

There total 3 articles about 3,5-Diethoxybenzoic 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:

3,5-diethoxybenzoic acid methyl ester (198623-55-1) → 3,5-di(ethoxy)benzoic acid (124480-95-1)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water;

Reference yield:

3,5-diethoxybenzoic acid ethyl ester (351002-95-4) → 3,5-di(ethoxy)benzoic acid (124480-95-1)

Guidance literature:

With potassium hydroxide;

Reference yield:

ethyl 3,5-dihydroxybenzoate (4142-98-7) → 3,5-di(ethoxy)benzoic acid (124480-95-1)

Guidance literature:

Multi-step reaction with 2 steps

1: potash; alcohol / 130 °C

2: KOH-solution

With potassium hydroxide; ethanol; potassium carbonate;

upstream raw materials:

3,5-diethoxybenzoic acid ethyl ester

ethyl 3,5-dihydroxybenzoate

3,5-diethoxybenzoic acid methyl ester

Downstream raw materials:

2-{[(3,5-diethoxybenzoyl)(3-phenylpropyl)amino]methyl}-N-[(dimethylamino)sulfonyl]-1,3-thiazole-4-carboxamide

3,5-diethoxybenzoic acid methyl ester

carbon dioxide

Refernces

• 1、 -. "ASPARTYL PROTEASE INHIBITORS". Page 194-196. . Retrieved 2010/02/05.