N-Methoxy-N,3-dimethylbenzamide

Base Information

• Chemical Name: N-Methoxy-N,3-dimethylbenzamide
• CAS No.: 135754-82-4
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.219
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID30457548
• Nikkaji Number: J3.455.479J
• Wikidata: Q82280425
• Mol file: 135754-82-4.mol

Synonyms:N-Methoxy-N,3-dimethylbenzamide;135754-82-4;3,N-DIMETHYL-N-METHOXYBENZAMIDE;SCHEMBL2652369;Fmoc-L-?-Homo-Asn(Trt)-OH;DTXSID30457548;KZITUZDRMDNBKI-UHFFFAOYSA-N;MFCD02684310;AKOS008953190;F79485;Z54739006;F1903-0114

Chemical Property of N-Methoxy-N,3-dimethylbenzamide

Chemical Property:

• Vapor Pressure: 0.000324mmHg at 25°C
• Refractive Index: 1.523
• Boiling Point: 320.1°C at 760 mmHg
• Flash Point: 147.4°C
• PSA: 29.54000
• Density: 1.07g/cm³
• LogP: 1.62840
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

3,N-DIMETHYL-N-METHOXYBENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(=O)N(C)OC
• Uses: N-Methoxy-N,3-dimethylbenzamide is used in catalytic reaction to synthesize 4H-3,1-benzoxazin-4-ones.

Technology Process of N-Methoxy-N,3-dimethylbenzamide

There total 9 articles about N-Methoxy-N,3-dimethylbenzamide 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: 92.0%

N,O-dimethylhydroxylamine*hydrochloride (6638-79-5) + m-Toluic acid (99-04-7) → 3-methyl-N-methoxy-N-methylbenzamide (135754-82-4)

Guidance literature:

m-Toluic acid; With 1,1'-carbonyldiimidazole; In dichloromethane; at 0 ℃; for 0.5h;

N,O-dimethylhydroxylamine*hydrochloride; With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1016/j.ejmech.2012.10.031

Reference yield: 91.0%

dicobalt octacarbonyl (15226-74-1,61091-28-9,61117-58-6) + meta-bromotoluene (591-17-3) + N,O-dimethylhydroxylamine*hydrochloride (6638-79-5) → 3-methyl-N-methoxy-N-methylbenzamide (135754-82-4)

Guidance literature:

With palladium diacetate; triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 90 ℃; for 1h; Reagent/catalyst; Sealed tube;

DOI:10.1080/00397911.2014.974610

Reference yield: 87.0%

N,O-dimethylhydroxylamine*hydrochloride (6638-79-5) + 3-Methylbenzoyl chloride (1711-06-4) → 3-methyl-N-methoxy-N-methylbenzamide (135754-82-4)

Guidance literature:

N,O-dimethylhydroxylamine*hydrochloride; With triethylamine; In dichloromethane; at 0 ℃; Inert atmosphere;

3-Methylbenzoyl chloride; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmcl.2009.12.090

upstream raw materials:

N,O-dimethylhydroxylamine*hydrochloride

3-Methylbenzoyl chloride

m-Toluic acid

3-methylbenzyl alcohol

Downstream raw materials:

1-(3-methylphenyl)-2-(pyridin-4-yl)ethanone

(4-aminophenyl)(3-methylphenyl)methanone

{4-[(2-nitrophenyl)amino]phenyl}(3-methylphenyl)methanone

3-Methylbenzonitrile