3,4,5-Triethoxybenzoic acid

Base Information

• Chemical Name: 3,4,5-Triethoxybenzoic acid
• CAS No.: 6970-19-0
• Molecular Formula: C13H18O5
• Molecular Weight: 254.283
• Hs Code.: 29189990
• European Community (EC) Number: 230-192-3
• NSC Number: 66202
• DSSTox Substance ID: DTXSID40219992
• Nikkaji Number: J236.673H
• Wikidata: Q83097052
• Mol file: 6970-19-0.mol

Synonyms:3,4,5-Triethoxybenzoic acid;6970-19-0;Benzoic acid, 3,4,5-triethoxy-;EINECS 230-192-3;MFCD00002505;Benzoic acid,3,4,5-triethoxy-;NSC66202;Oprea1_271960;Oprea1_603123;SCHEMBL504156;3,4,5-triethoxy benzoic acid;DTXSID40219992;NSC 66202;NSC-66202;STK985631;AKOS000118860;BS-4687;UPCMLD0ENAT5883878:001;CS-0071310;FT-0614134;EN300-19596;D73861;F3098-1921;Z104474394

Chemical Property of 3,4,5-Triethoxybenzoic acid

Chemical Property:

• Appearance/Colour: beige amorphous powder
• Vapor Pressure: 3.34E-06mmHg at 25°C
• Melting Point: 109-112 °C
• Refractive Index: 1.4825 (estimate)
• Boiling Point: 372.3 °C at 760 mmHg
• PKA: 4.29±0.10(Predicted)
• Flash Point: 135.7 °C
• PSA: 64.99000
• Density: 1.137 g/cm³
• LogP: 2.58090
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 254.11542367
• Heavy Atom Count: 18
• Complexity: 240

Purity/Quality:

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

3,4,5-TriethoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC(=CC(=C1OCC)OCC)C(=O)O

Technology Process of 3,4,5-Triethoxybenzoic acid

There total 8 articles about 3,4,5-Triethoxybenzoic 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:

methyl 3,4,5-triethoxybenzoate (39666-77-8) → 3,4,5-triethoxybenzoic acid (6970-19-0)

Guidance literature:

With potassium hydroxide;

DOI:10.1248/cpb.51.1085

Reference yield:

methyl galloate (99-24-1) → 3,4,5-triethoxybenzoic acid (6970-19-0)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃; KI / acetone / 48 h / Heating

2: aq. KOH / ethanol / 4 h / Heating

With potassium hydroxide; potassium carbonate; potassium iodide; In ethanol; acetone;

DOI:10.1021/ja0446101

Reference yield:

diethyl sulfate (64-67-5) + 3,4,5-trihydroxybenzoic acid (149-91-7) → 3,4,5-triethoxybenzoic acid (6970-19-0)

Guidance literature:

With sodium hydroxide; anschliessendes Erwaermen mit wss. Natronlauge;

DOI:10.1002/ardp.19342721009

upstream raw materials:

diethyl sulfate

3,4,5-trihydroxybenzoic acid

3,5,7-triethoxy-2-(3,4,5-triethoxy-phenyl)-chromen-4-one

methyl 3,4,5-triethoxybenzoate

Downstream raw materials:

methyl 3,4,5-triethoxybenzoate

3,4,5-triethoxybenzoic acid ethyl ester

2,6-diethoxyphenol

3',4',5'-triethoxypropiophenone

Refernces

• 1、 Terazzi, Emmanuel,Torelli, Stephane,Bernardinelli, Gerald,Rivera, Jean-Pierre,Benech, Jean-Marc,Bourgogne, Cyril,Donnio, Bertrand,Guillon, Daniel,Imbert, Daniel,Buenzli, Jean-Claude G.,Pinto, Andre,Jeannerat, Damien,Piguet, Claude. "Molecular control of macroscopic cubic, columnar, and lamellar organizations in luminescent lanthanide-containing thermotropic liquid crystals". . p. 888 - 903. Retrieved 2007/10/03.
• 2、 Soare,Missir Al.,Chirita,et al.. "3,4,5-Triethoxybenzoic acid derivatives". . p. 211 - 216. Retrieved 2007/10/06.