3-Ethoxybenzamide

Base Information

• Chemical Name: 3-Ethoxybenzamide
• CAS No.: 55836-69-6
• Molecular Formula: C9H11 N O2
• Molecular Weight: 165.192
• Hs Code.: 2924299090
• European Community (EC) Number: 259-846-6
• UNII: BXQ2ZWQ74W
• DSSTox Substance ID: DTXSID50204430
• Nikkaji Number: J109.333I
• Wikidata: Q83077869
• ChEMBL ID: CHEMBL458643
• Mol file: 55836-69-6.mol

Synonyms:3-Ethoxybenzamide;55836-69-6;m-Ethoxybenzamide;Benzamide, 3-ethoxy-;BXQ2ZWQ74W;EINECS 259-846-6;3-Ethoxy-benzamide;UNII-BXQ2ZWQ74W;Benzoic amide, 3-ethoxy-;BENZAMIDE, M-ETHOXY-;CHEMBL458643;SCHEMBL2705442;DTXSID50204430;MFCD00007988;AKOS000299513;AS-10353;BB 0244310;CS-0299471;FT-0615631;AE-562/43459662;Z274459672

Chemical Property of 3-Ethoxybenzamide

Chemical Property:

• Vapor Pressure: 0.00173mmHg at 25°C
• Melting Point: 138-140 °C(lit.)
• Boiling Point: 293.4°Cat760mmHg
• PKA: 15.84±0.50(Predicted)
• Flash Point: 145.8°C
• PSA: 52.32000
• Density: 1.111g/cm³
• LogP: 1.88450
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

3-Ethoxybenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 22-24/25-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Ethoxybenzamide

There total 1 articles about 3-Ethoxybenzamide 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-ethoxybenzamide (55836-69-6)

Guidance literature:

Reference yield: 99.0%

3-ethoxybenzamide (55836-69-6) → 1-(3-ethoxyphenyl)urea (13142-86-4)

Guidance literature:

With [bis(acetoxy)iodo]benzene; ammonia; In methanol; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1055/s-0040-1707103

Reference yield: 47.0%

1',2',3',4',5',6'-hexahydro-2'H-[2,4'-bipyridine] N-oxide hydrochloride + formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-ethoxybenzamide (55836-69-6) → 2-(1-{[(3-ethoxybenzoyl)amino]methyl}piperidin-4-yl)pyridinium N-oxide

Guidance literature:

1',2',3',4',5',6'-hexahydro-2'H-[2,4'-bipyridine] N-oxide hydrochloride; With potassium carbonate; In 1,4-dioxane; toluene; at 20 ℃; for 0.5h;

formaldehyd; 3-ethoxybenzamide; In 1,4-dioxane; toluene; at 80 ℃; for 4h;

DOI:10.1021/jm060662k

Downstream raw materials:

1-(3-ethoxyphenyl)urea