3,4,5-Trimethoxybenzamide

Base Information

• Chemical Name: 3,4,5-Trimethoxybenzamide
• CAS No.: 3086-62-2
• Molecular Formula: C10H13NO4
• Molecular Weight: 211.218
• Hs Code.: 29242990
• European Community (EC) Number: 221-406-6
• NSC Number: 16947
• UNII: Y8L1O54TAS
• DSSTox Substance ID: DTXSID5062841
• Nikkaji Number: J54.846D
• Wikidata: Q72513694
• ChEMBL ID: CHEMBL2252115
• Mol file: 3086-62-2.mol

Synonyms:3,4,5-trimethoxybenzamide

Chemical Property of 3,4,5-Trimethoxybenzamide

Chemical Property:

• Vapor Pressure: 0.0051mmHg at 25°C
• Melting Point: 179-184 °C(lit.)
• Refractive Index: 1.525
• Boiling Point: 275.4 °C at 760 mmHg
• PKA: 15.95±0.50(Predicted)
• Flash Point: 104.2 °C
• PSA: 70.78000
• Density: 1.172 g/cm³
• LogP: 1.51160
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 211.08445790
• Heavy Atom Count: 15
• Complexity: 208

Purity/Quality:

98% ^*data from raw suppliers

3,4,5-Trimethoxybenzamide >98.0%(HPLC)(N) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)N

Technology Process of 3,4,5-Trimethoxybenzamide

There total 24 articles about 3,4,5-Trimethoxybenzamide 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: 96.0%

3,4,5-trimethoxybenzonitrile (1885-35-4) → 3,4,5-trimethoxybenzamide (3086-62-2)

Guidance literature:

With [2,2]bipyridinyl; water; palladium diacetate; In 1,4-dioxane; at 70 ℃; for 24h; Solvent; Catalytic behavior; Schlenk technique; Sealed tube;

DOI:10.1016/j.tetlet.2017.09.034

Reference yield: 96.0%

3,4,5-trimethoxy(N-tert-butylcarbamoyl)benzene (49834-25-5) → 3,4,5-trimethoxybenzamide (3086-62-2)

Guidance literature:

scandium tris(trifluoromethanesulfonate); In nitromethane; at 170 ℃; for 1h; Irradiation;

DOI:10.1016/j.tetlet.2006.03.010

Reference yield: 90.0%

3,4,5-trimethoxybenzylamine (18638-99-8) → 3,4,5-trimethoxybenzamide (3086-62-2)

Guidance literature:

With tert.-butylhydroperoxide; caesium carbonate; In water; acetonitrile; for 4h; Reflux;

DOI:10.1016/j.tetlet.2019.151076

upstream raw materials:

3,4,5-Trimethoxybenzoyl chloride

3,4,5-trihydroxybenzamide

dimethyl sulfate

Eudesmic acid

Downstream raw materials:

1-(3,4,5-trimethoxyphenyl)propan-1-one

1-(3,4,5-trimethoxy-phenyl)-propan-1-one-imine

3,4,5-trimethoxybenzylamine

1,2-bis(3,4,5-tri-methoxyphenyl)ethane-1,2-dione

Refernces

• 1、 Gholipour, Behnam,Liu, Xiao,Rostamnia, Sadegh,Zonouzi, Afsaneh. "Single-pot tandem oxidative/C-H modification amidation process using ultrasmall PdNP-encapsulated porous organosilica nanotubes". . p. 4276 - 4287. Retrieved 2022/02/16.
• 2、 Sureshbabu, Popuri,Azeez, Sadaf,Muniyappan, Nalluchamy,Sabiah, Shahulhameed,Kandasamy, Jeyakumar. "Chemoselective Synthesis of Aryl Ketones from Amides and Grignard Reagents via C(O)-N Bond Cleavage under Catalyst-Free Conditions". . p. 11823 - 11838. Retrieved 2019/10/02.