3,5-Dimethoxybenzamide

Base Information

• Chemical Name: 3,5-Dimethoxybenzamide
• CAS No.: 17213-58-0
• Molecular Formula: C9H11NO3
• Molecular Weight: 181.191
• Hs Code.: 29242990
• European Community (EC) Number: 241-257-0
• NSC Number: 16615
• DSSTox Substance ID: DTXSID20169209
• Nikkaji Number: J208.372H
• Wikidata: Q72467609
• ChEMBL ID: CHEMBL442942
• Mol file: 17213-58-0.mol

Synonyms:3,5-Dimethoxybenzamide;17213-58-0;Benzamide, 3,5-dimethoxy-;EINECS 241-257-0;NSC16615;Oprea1_549641;SCHEMBL894796;3,5-Dimethoxybenzamide, 97%;CHEMBL442942;DTXSID20169209;AM787;MFCD00007987;NSC 16615;NSC-16615;AKOS000278372;D1558;FT-0614639;A852423;W-107868;2-(2-Chloro-phenyl)thiazole-4-carboxylicacidethylester

Chemical Property of 3,5-Dimethoxybenzamide

Chemical Property:

• Appearance/Colour: white to very slightly yellow powder
• Vapor Pressure: 0.00272mmHg at 25°C
• Melting Point: 145-148 °C(lit.)
• Refractive Index: 1.534
• Boiling Point: 285.9 °C at 760 mmHg
• PKA: 15.62±0.50(Predicted)
• Flash Point: 133.2 °C
• PSA: 61.55000
• Density: 1.16 g/cm³
• LogP: 1.50300
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dimethoxybenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1)C(=O)N)OC

Technology Process of 3,5-Dimethoxybenzamide

There total 14 articles about 3,5-Dimethoxybenzamide 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: 94.0%

1-(3,5-dimethoxybenzoyl) piperidine-2,6-dione → 3,5-dimethoxybenzamide (17213-58-0)

Guidance literature:

With lithium hydroxide monohydrate; In water; at 20 ℃; for 2h;

DOI:10.1021/acs.orglett.1c00010

Reference yield: 84.0%

1-iodo-3,5-dimethoxybenzene (25245-27-6) + potassium ferrocyanide → 3,5-dimethoxybenzamide (17213-58-0)

Guidance literature:

With water; potassium carbonate; In dimethyl sulfoxide; at 110 ℃; for 12h;

DOI:10.1039/c4ra12827c

Reference yield: 83.0%

3,5-dimethoxy-benzonitrile (19179-31-8) → 3,5-dimethoxybenzamide (17213-58-0)

Guidance literature:

With sodium perborate; water; In methanol; at 50 ℃;

DOI:10.1016/S0040-4020(01)81008-5

upstream raw materials:

methyl 3,5-dimethoxybenzoate

3,5-dimethoxybenzoyl chloride

3,5-dimethoxy-benzonitrile

ethyl 3,5-dimethoxybenzoate

Downstream raw materials:

1-(3,5-dimethoxy-phenyl)-pentan-1-one

1-(3,5-dimethoxyphenyl)ethan-1-one

1-(3,5-dimethoxyphenyl)heptan-1-one

3,5-dimethoxyphenyl ethyl ketone

Refernces

• 1、 Govindan, Karthick,Chen, Nian-Qi,Chuang, Yu-Wei,Lin, Wei-Yu. "Unlocking Amides through Selective C–N Bond Cleavage: Allyl Bromide-Mediated Divergent Synthesis of Nitrogen-Containing Functional Groups". supporting information. p. 9419 - 9424. Retrieved 2021/11/30.
• 2、 -. "Synthesis method of resveratrol". Paragraph 0035; 0036. . Retrieved 2018/05/03.