N-[4-(chloromethyl)-2-oxochromen-7-yl]acetamide

Base Information

• Chemical Name: N-[4-(chloromethyl)-2-oxochromen-7-yl]acetamide
• CAS No.: 447398-67-6
• Molecular Formula: C₁₂H₁₀ClNO₃
• Molecular Weight: 251.669
• DSSTox Substance ID: DTXSID00368713
• Nikkaji Number: J1.742.514E
• Wikidata: Q82155470
• Mol file: 447398-67-6.mol

Synonyms:447398-67-6;N-[4-(chloromethyl)-2-oxo-2H-chromen-7-yl]acetamide;N-[4-(chloromethyl)-2-oxochromen-7-yl]acetamide;N-(4-(chloromethyl)-2-oxo-2H-chromen-7-yl)acetamide;DTXSID00368713;STL034750;AKOS000117122;EN300-06533;Z56928538;F2124-0647;4-(Chloromethyl)-7-(acetylamino)-2H-1-benzopyran-2-one

Chemical Property of N-[4-(chloromethyl)-2-oxochromen-7-yl]acetamide

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 251.0349209
• Heavy Atom Count: 17
• Complexity: 367

Purity/Quality:

99% ^*data from raw suppliers

N-[4-(Chloromethyl)-2-oxo-2H-chromen-7-yl]acetamide 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CCl

Technology Process of N-[4-(chloromethyl)-2-oxochromen-7-yl]acetamide

There total 2 articles about N-[4-(chloromethyl)-2-oxochromen-7-yl]acetamide 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: 25.0%

ethyl (2-chloroaceto)acetate (638-07-3) + meta-hydroxyacetanilide (621-42-1) → N-acetyl-7-amino-4-chloromethylcoumarin (447398-67-6)

Guidance literature:

In sulfuric acid; at 20 ℃; for 10h;

DOI:10.1016/S0040-4039(02)00853-5

Reference yield:

m-Hydroxyaniline (591-27-5) → N-acetyl-7-amino-4-chloromethylcoumarin (447398-67-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 66 percent / pyridine / diethyl ether / 3 h / 20 °C

2: 25 percent / H₂SO₄ / 10 h / 20 °C

With pyridine; In diethyl ether; sulfuric acid; 2: Pechmann condensation;

DOI:10.1016/S0040-4039(02)00853-5

Reference yield: 72.0%

N-acetyl-7-amino-4-chloromethylcoumarin (447398-67-6) → 7-amino-4-(chloromethyl)-2H-1-benzopyran-2-one (147963-22-2)

Guidance literature:

With hydrogenchloride; In water; isopropyl alcohol; for 16h; Reflux;

DOI:10.1039/b906762k

upstream raw materials:

ethyl (2-chloroaceto)acetate

meta-hydroxyacetanilide

m-Hydroxyaniline

Downstream raw materials:

7-amino-4-(chloromethyl)-2H-1-benzopyran-2-one

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