3-Methoxybenzamide

Base Information

• Chemical Name: 3-Methoxybenzamide
• CAS No.: 5813-86-5
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.165
• Hs Code.: 2924299090
• European Community (EC) Number: 227-379-7
• NSC Number: 209527,28589
• UNII: M8502TLK98
• DSSTox Substance ID: DTXSID00206848
• Nikkaji Number: J218.071E
• Wikidata: Q27094032
• Metabolomics Workbench ID: 68045
• ChEMBL ID: CHEMBL123978
• Mol file: 5813-86-5.mol

Synonyms:3-methoxybenzamide;m-methoxybenzamide

Chemical Property of 3-Methoxybenzamide

Chemical Property:

• Vapor Pressure: 0.00388mmHg at 25°C
• Melting Point: 132.5-135.5 °C(lit.)
• Refractive Index: 1.546
• Boiling Point: 280 °C at 760 mmHg
• PKA: 15.81±0.50(Predicted)
• Flash Point: 146.8 °C
• PSA: 52.32000
• Density: 1.143 g/cm³
• LogP: 1.49440
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Soluble in water.
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

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

3-Methoxybenzamide ^*data from reagent suppliers

Safty Information:

• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C(=O)N
• Uses: 3-Methoxybenzamide is act as an inhibitor of ADP-ribosyltransferase. It is also a weak inhibitor of the essential bacterial cell division protein FtsZ. Alkyl derivatives of 3-Methoxybenzamide are potent antistaphylococcal compounds with suboptimal drug-like properties.

Technology Process of 3-Methoxybenzamide

There total 24 articles about 3-Methoxybenzamide 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: 99.0%

3-methoxybenzyl alcohol (6971-51-3) → m-methoxybenzamide (5813-86-5)

Guidance literature:

With ammonium hydroxide; manganese(IV) oxide; oxygen; at 130 ℃; for 24h; under 11251.1 Torr; Autoclave;

DOI:10.1016/S1872-2067(21)63803-2

Reference yield: 99.0%

3-methoxy-N-phenyl-N-tosylbenzamide → m-methoxybenzamide (5813-86-5)

Guidance literature:

With ammonium carbonate; In dimethyl sulfoxide; at 25 ℃; for 6h;

DOI:10.1021/acs.orglett.0c00958

Reference yield: 95.0%

3-methoxybenzaldehyde oxime (38489-80-4) → m-methoxybenzamide (5813-86-5)

Guidance literature:

With chloro(η4-1,5-cyclooctadiene)(1,3-dimesitylimidazole-2-ylidene)rhodium(I); 3-methoxybenzonitrile; toluene-4-sulfonic acid; In toluene; at 80 ℃; for 6h;

DOI:10.1002/adsc.200900251

upstream raw materials:

(E)-3-methoxybenzaldoxime

m-anisoyl chloride

3-methoxybenzonitrile

3-Methoxybenzoic acid

Downstream raw materials:

m-methoxybenzamido-1 (cyclohexene-1 yl)-2 cyclohexene

C₉H₇NO₂S₂

HT₁₀₅₄

N-m-Methoxybenzoyl-N'-p-chlorphenyltrichlormethansulfinamidin

Refernces

• 1、 Mohammadi, Robabeh,Gholipour, Behnam,Alamgholiloo, Hassan,Rostamnia, Sadegh,Mohtasham, Hamed,Zonouzi, Afsaneh,Ramakrishna, Seeram,Shokouhimehr, Mohammadreza. "Nano-construction of CuO nanorods decorated with g-C3N4 nanosheets (CuO/g-C3N4-NS) as a superb colloidal nanocatalyst for liquid phase C[sbnd]H conversion of aldehydes to amides". . . Retrieved 2021/04/27.
• 2、 Chen, Xuenian,Kang, Jia-Xin,Ma, Yan-Na,Miao, Yu-Qi. "Visible light-mediated synthesis of amides from carboxylic acids and amine-boranes". supporting information. p. 3595 - 3599. Retrieved 2021/06/06.