3,4,5-Trimethoxy-N-3-pyridylbenzamide

Base Information

• Chemical Name: 3,4,5-Trimethoxy-N-3-pyridylbenzamide
• CAS No.: 31638-96-7
• Molecular Formula: C15H16 N2 O4
• Molecular Weight: 288.303
• Hs Code.: 2933399090
• European Community (EC) Number: 250-746-8
• UNII: F2D5VBB56R
• DSSTox Substance ID: DTXSID00185523
• Nikkaji Number: J134.875B
• Wikidata: Q83056560
• ChEMBL ID: CHEMBL65149
• Mol file: 31638-96-7.mol

Synonyms:3,4,5-Trimethoxy-N-3-pyridylbenzamide;31638-96-7;3,4,5-trimethoxy-N-pyridin-3-ylbenzamide;F2D5VBB56R;EINECS 250-746-8;UNII-F2D5VBB56R;CHEMBL65149;3,4,5-Trimethoxy-N-pyridin-3-yl-benzamide;3,4,5-trimethoxy-N-(3-pyridinyl)benzamide;Oprea1_665558;Oprea1_817852;MLS001203282;DTXSID00185523;HMS2845D22;BDBM50279880;STK125360;AKOS000593508;NCGC00245175-01;SMR000515059;3,4,5-Trimethoxy-N-(3-pyridyl)benzamide;3,4,5-trimethoxy-N-(pyridin-3-yl)benzamide;Benzamide, 3,4,5-trimethoxy-N-3-pyridinyl-;3,4,5-trimethoxy-N~1~-(3-pyridyl)benzamide;E70328;3,4,5-TRIMETHOXY-N-3-PYRIDINYLBENZAMIDE;AO-548/09315017;SR-01000413948;SR-01000413948-1

Chemical Property of 3,4,5-Trimethoxy-N-3-pyridylbenzamide

Chemical Property:

• Vapor Pressure: 1.84E-06mmHg at 25°C
• Boiling Point: 395.4°Cat760mmHg
• PKA: 11.91±0.70(Predicted)
• Flash Point: 192.9°C
• PSA: 73.17000
• Density: 1.234g/cm³
• LogP: 2.74370
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 288.11100700
• Heavy Atom Count: 21
• Complexity: 326

Purity/Quality:

99% ^*data from raw suppliers

3,4,5-TRIMETHOXY-N-3-PYRIDYLBENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CN=CC=C2
• Uses: 3,4,5-Trimethoxy-N-3-pyridinylbenzamide is used in the preparation of iridium benzoylaminopyridinium complex.

Technology Process of 3,4,5-Trimethoxy-N-3-pyridylbenzamide

There total 3 articles about 3,4,5-Trimethoxy-N-3-pyridylbenzamide 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: 86.2%

pyridin-3-ylamine (462-08-8) + 3,4,5-Trimethoxybenzoyl chloride (4521-61-3) → 3,4,5-trimethoxy-N-3-pyridylbenzamide (31638-96-7)

Guidance literature:

With sodium carbonate; In dichloromethane; at 40 ℃; for 4h; Temperature; Reagent/catalyst; Solvent;

Reference yield:

Eudesmic acid (118-41-2) → 3,4,5-trimethoxy-N-3-pyridylbenzamide (31638-96-7)

Guidance literature:

Multi-step reaction with 2 steps

1: bis(trichloromethyl) carbonate / dichloromethane; N,N-dimethyl acetamide / 3 h / 30 °C

2: sodium carbonate / dichloromethane / 4 h / 40 °C

With bis(trichloromethyl) carbonate; sodium carbonate; In dichloromethane; N,N-dimethyl acetamide;

Reference yield:

→ 3,4,5-trimethoxy-N-3-pyridylbenzamide (31638-96-7)

Guidance literature:

3-Amino-pyridin, Tri-O-methyl-galloylchlorid, Py., Benzol; zuletzt unter Erwaermen;

DOI:10.1021/jm00286a021

upstream raw materials:

pyridin-3-ylamine

3,4,5-Trimethoxybenzoyl chloride

Eudesmic acid

Downstream raw materials:

troxipide