4-(tert-Butyl)-N-methoxy-N-methylbenzamide

Base Information

• Chemical Name: 4-(tert-Butyl)-N-methoxy-N-methylbenzamide
• CAS No.: 208188-23-2
• Molecular Formula: C₁₃H₁₉NO₂
• Molecular Weight: 221.299
• Hs Code.: 2924297099
• DSSTox Substance ID: DTXSID20388115
• Nikkaji Number: J3.118.639K
• Mol file: 208188-23-2.mol

Synonyms:208188-23-2;4-(tert-Butyl)-N-methoxy-N-methylbenzamide;4-tert-butyl-N-methoxy-N-methylbenzamide;4-(tert-Butyl)-N-methoxy-N-methylbenzenecarboxamide;Benzamide, 4-(1,1-dimethylethyl)-N-methoxy-N-methyl-;SCHEMBL2647559;DTXSID20388115;XXLVUAPKIAQHFL-UHFFFAOYSA-N;HMS1601J03;MFCD06662541;STL065948;AKOS000499800;HA-0821;SB80191;4-t-butyl-N-methoxy-N-methyl-benzamide;N-Methyl-N-methoxy-4-tert-butylbenzamide;FT-0747425;AN-329/43341923;J-513869;4-(1,1-dimethylethyl)-N-methyl-N-(methyloxy)benzamide;F3146-0224

Chemical Property of 4-(tert-Butyl)-N-methoxy-N-methylbenzamide

Chemical Property:

• Melting Point: 68-70
• Boiling Point: 342.5±21.0 °C(Predicted)
• Density: 1.016±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 221.141578849
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

98%min ^*data from raw suppliers

4-(tert-Butyl)-N-methoxy-N-methylbenzenecarboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-(tert-Butyl)-N-methoxy-N-methylbenzamide

There total 8 articles about 4-(tert-Butyl)-N-methoxy-N-methylbenzamide 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: 90.0%

N,O-dimethylhydroxylamine*hydrochloride (6638-79-5) + p-tert-butyl benzoyl chloride (1710-98-1) → N-methoxy-N-methyl-4-(2-methyl-2-propanyl)benzamide (208188-23-2)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1002/ejoc.201701322

Reference yield: 85.0%

N,O-dimethylhydroxylamine*hydrochloride (6638-79-5) + 4-t-butylphenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (247018-51-5) + molybdenum hexacarbonyl (13939-06-5,199620-15-0) → N-methoxy-N-methyl-4-(2-methyl-2-propanyl)benzamide (208188-23-2)

Guidance literature:

With palladium diacetate; 1,8-diazabicyclo[5.4.0]undec-7-ene; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 120 ℃; for 0.333333h; Microwave irradiation;

DOI:10.1071/CH16213

Reference yield: 74.0%

dicobalt octacarbonyl (15226-74-1,61091-28-9,61117-58-6) + 1-bromo-4-tert-butylbenzene (3972-65-4) + N,O-dimethylhydroxylamine*hydrochloride (6638-79-5) → N-methoxy-N-methyl-4-(2-methyl-2-propanyl)benzamide (208188-23-2)

Guidance literature:

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

DOI:10.1080/00397911.2014.974610

upstream raw materials:

4-(1,1-dimethylethyl)benzoic acid

N,0-dimethylhydroxylamine

N,O-dimethylhydroxylamine*hydrochloride

p-tert-butyl benzoyl chloride

Downstream raw materials:

1-(4-tert-Butylphenyl)-3-(dimethylamino)propan-1-one

3-(4-tert-butylphenyl)-3-oxopropanenitrile

2,2‐dibromo‐1‐(4‐tert‐butylphenyl)ethan‐1‐one

1‐(4‐tert‐butylphenyl)‐2,2‐dichloroethan‐1‐one