Methyl 5-(acetylamino)-o-anisate

Base Information

• Chemical Name: Methyl 5-(acetylamino)-o-anisate
• CAS No.: 79893-19-9
• Molecular Formula: C11H13 N O4
• Molecular Weight: 223.229
• European Community (EC) Number: 279-333-0
• DSSTox Substance ID: DTXSID001000821
• Nikkaji Number: J320.199F
• Wikidata: Q82994565
• Mol file: 79893-19-9.mol

Synonyms:79893-19-9;Methyl 5-(acetylamino)-o-anisate;EINECS 279-333-0;methyl 2-methoxy-5-acetamidobenzoate;methyl 5-(acetylamino)-2-methoxybenzoate;Benzoic acid, 5-(acetylamino)-2-methoxy-, methyl ester;SCHEMBL7000701;METHYL2-ACETAMIDOBENZOATE;OICCRSUCOIYODF-UHFFFAOYSA-N;DTXSID001000821;AKOS024327225;5-Acetylamino-2-methoxybenzoic acid methyl ester;N-[4-Methoxy-3-(methoxycarbonyl)phenyl]ethanimidic acid

Chemical Property of Methyl 5-(acetylamino)-o-anisate

Chemical Property:

• Vapor Pressure: 2.88E-07mmHg at 25°C
• Boiling Point: 420.1°C at 760 mmHg
• Flash Point: 207.9°C
• PSA: 68.12000
• Density: 1.21g/cm³
• LogP: 2.08970
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 223.08445790
• Heavy Atom Count: 16
• Complexity: 267

Purity/Quality:

98%Min ^*data from raw suppliers

METHYL 5-(ACETYLAMINO)-2-METHOXYBENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=C(C=C1)OC)C(=O)OC

Technology Process of Methyl 5-(acetylamino)-o-anisate

There total 3 articles about Methyl 5-(acetylamino)-o-anisate 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%

methyl 2-methoxy-5-aminobenzoate (22802-67-1) + acetic anhydride (108-24-7) → methyl 5-(acetylamino)-o-anisate (79893-19-9)

Guidance literature:

With dmap; triethylamine; In chloroform; at 20 ℃; for 1h;

DOI:10.1021/ja064218i

Reference yield:

methyl 2-methoxy-5-aminobenzoate (22802-67-1) + acetyl chloride (75-36-5) → methyl 5-(acetylamino)-o-anisate (79893-19-9)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane;

Reference yield:

→ methyl 5-(acetylamino)-o-anisate (79893-19-9)

Guidance literature:

In toluene; Reflux;

upstream raw materials:

methyl 2-methoxy-5-aminobenzoate

acetic anhydride

acetyl chloride

Downstream raw materials:

C₁₁H₁₂N₂O₆

Refernces

• 1、 Zhu, Jiang,Lin, Jian-Bin,Xu, Yun-Xiang,Shao, Xue-Bin,Jiang, Xi-Kui,Li, Zhan-Ting. "Hydrogen-bonding-mediated anthranilamide homoduplexes. Increasing stability through preorganization and iterative arrangement of a simple amide binding site". . p. 12307 - 12313. Retrieved 2007/10/03.
• 2、 -. "VIRAL POLYMERASE INHIBITORS". Page 159. . Retrieved 2010/02/07.