Acetamide, N-(3-(2-amino-5-methoxyphenyl)-3-oxopropyl)-

Base Information

• Chemical Name: Acetamide, N-(3-(2-amino-5-methoxyphenyl)-3-oxopropyl)-
• CAS No.: 52450-39-2
• Molecular Formula: C12H16 N2 O3
• Molecular Weight: 236.271
• Hs Code.: 2924299090
• NSC Number: 688265
• UNII: YY9B6V6WK3
• DSSTox Substance ID: DTXSID10966880
• Nikkaji Number: J1.868.328H
• Wikidata: Q82949306
• ChEMBL ID: CHEMBL369941
• Mol file: 52450-39-2.mol

Synonyms:AMK kynuramine cpd;AMKA;N(1)-acetyl-5-methoxykynuramine;N(gamma)-acetyl-5-methoxykynurenamine;N-acetyl-5-methoxy kynurenamine

Chemical Property of Acetamide, N-(3-(2-amino-5-methoxyphenyl)-3-oxopropyl)-

Chemical Property:

• Vapor Pressure: 6.86E-10mmHg at 25°C
• Boiling Point: 493.7°Cat760mmHg
• Flash Point: 252.4°C
• PSA: 81.42000
• Density: 1.165g/cm³
• LogP: 1.95840
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 236.11609238
• Heavy Atom Count: 17
• Complexity: 281

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

N-GAMMA-ACETYL-5-METHOXYKYNURENAMINE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Acetamide, N-(3-(2-amino-5-methoxyphenyl)-3-oxopropyl)-

There total 21 articles about Acetamide, N-(3-(2-amino-5-methoxyphenyl)-3-oxopropyl)- 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: 100.0%

N-[3-(5-methoxy-2-nitrophenyl)-3-oxopropyl]acetamide (873465-48-6) → N-(3-(2-amino-5-methoxyphenyl)-3-oxopropyl)acetamide (52450-39-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 3h; under 760 Torr;

DOI:10.1021/jm050740o

Reference yield: 90.0%

N1-acetyl-N2-formyl-5-methoxykynurenine (52450-38-1) → N-(3-(2-amino-5-methoxyphenyl)-3-oxopropyl)acetamide (52450-39-2)

Guidance literature:

With hydrogenchloride; In ethanol; Heating;

DOI:10.1016/S0024-3205(03)00483-1

Reference yield: 62.0%

formic acid (64-18-6) + tert-butyl (2-[3'-N-acetylaminopropargyl]-4-methoxyphenyl)carbamate (438580-16-6) → N1-acetyl-N2-formyl-5-methoxykynurenine (52450-38-1) + N-(3-(2-amino-5-methoxyphenyl)-3-oxopropyl)acetamide (52450-39-2)

Guidance literature:

With mercury(II) sulfate; In dichloromethane; water; at 42 ℃; for 4h;

DOI:10.1055/s-2002-20476

upstream raw materials:

formic acid

tert-butyl (2-[3'-N-acetylaminopropargyl]-4-methoxyphenyl)carbamate

N-[3-(5-methoxy-2-nitrophenyl)-3-oxopropyl]acetamide

N¹-acetyl-N²-formyl-5-methoxykynurenine

Downstream raw materials:

N¹-acetyl-N²-formyl-5-methoxykynurenine