4-(Benzyloxy)-N-methoxy-N-methylbenzamide

Base Information

• Chemical Name: 4-(Benzyloxy)-N-methoxy-N-methylbenzamide
• CAS No.: 252199-28-3
• Molecular Formula: C16H17NO3
• Molecular Weight: 271.316
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID80462026
• Wikidata: Q82286490
• Mol file: 252199-28-3.mol

Synonyms:4-(Benzyloxy)-N-methoxy-N-methylbenzamide;252199-28-3;N-methoxy-N-methyl-4-phenylmethoxybenzamide;Benzamide, N-methoxy-N-methyl-4-(phenylmethoxy)-;4-benzyloxy-N-methoxy-N-methylbenzamide;SCHEMBL1034311;DTXSID80462026;MYSYRZXOLSGCFC-UHFFFAOYSA-N;CKA19928;AKOS016002286;4-benzyloxy-N-methoxy-N-methyl-benzamide;4-benzyloxy-N-methoxy-N -methyl-benzamide;4-benzyloxy-N-methoxyl-N-methyl-benzamide;4-oxo-3-phenyl-phthalazine-1-carboxylicacid;FT-0754328;F78568;F2158-1546

Chemical Property of 4-(Benzyloxy)-N-methoxy-N-methylbenzamide

Chemical Property:

• Vapor Pressure: 2.31E-08mmHg at 25°C
• Boiling Point: 452.1oC at 760 mmHg
• Flash Point: 227.2oC
• PSA: 38.77000
• LogP: 2.89900
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 271.12084340
• Heavy Atom Count: 20
• Complexity: 294

Purity/Quality:

98%min ^*data from raw suppliers

4-(Benzyloxy)-N-methoxy-N-methylbenzamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2)OC
• Uses: 4-(Benzyloxy)-N-methoxy-N-methylbenzamide is used in the development of sulfonamide photoaffinity inhibitors for probing cellular γ-Secretase

Technology Process of 4-(Benzyloxy)-N-methoxy-N-methylbenzamide

There total 10 articles about 4-(Benzyloxy)-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: 95.0%

4-(benzyloxy)benzoic acid chloride (1486-50-6) + N,O-dimethylhydroxylamine*hydrochloride (6638-79-5) → 4-(benzyloxy)-N-methoxy-N-methylbenzamide (252199-28-3)

Guidance literature:

With triethylamine; In dichloromethane; at 25 ℃; for 16h;

DOI:10.1021/jm040118g

Reference yield:

p-(benzyloxy)benzoic acid (1486-51-7) + N,O-dimethylhydroxylamine*hydrochloride (6638-79-5) → 4-(benzyloxy)-N-methoxy-N-methylbenzamide (252199-28-3)

Guidance literature:

With triethylamine; In 1,4-dioxane; acetonitrile; at 20 ℃; for 24h;

Reference yield:

p-(benzyloxy)benzoic acid (1486-51-7) → 4-(benzyloxy)-N-methoxy-N-methylbenzamide (252199-28-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / oxalyl chloride; DMF / CH₂Cl₂ / 2 h / 23 °C

2: 95 percent / Et₃N / CH₂Cl₂ / 16 h / 25 °C

With oxalyl dichloride; triethylamine; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1021/jm040118g

upstream raw materials:

4-(benzyloxy)benzoic acid chloride

N,0-dimethylhydroxylamine

N,O-dimethylhydroxylamine*hydrochloride

p-(benzyloxy)benzoic acid

Downstream raw materials:

4-hydroxy-N-methoxy-N-methylbenzamide

4-hydroxy-3-iodo-N-methoxy-N-methylbenzamide