4-Nitrophenyl 2-chloropropanoate

Base Information

• Chemical Name: 4-Nitrophenyl 2-chloropropanoate
• CAS No.: 141479-87-0
• Molecular Formula: C9H8ClNO4
• Molecular Weight: 229.62
• DSSTox Substance ID: DTXSID80545469
• Mol file: 141479-87-0.mol

Synonyms:141479-87-0;4-Nitrophenyl 2-chloropropanoate;DTXSID80545469

Chemical Property of 4-Nitrophenyl 2-chloropropanoate

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 229.0141854
• Heavy Atom Count: 15
• Complexity: 245

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])Cl

Technology Process of 4-Nitrophenyl 2-chloropropanoate

There total 1 articles about 4-Nitrophenyl 2-chloropropanoate 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: 98.5%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 2-chloropropionyl chloride (7623-09-8) → 4-nitrophenyl 2-chloropropionate (141479-87-0)

Guidance literature:

With pyridine; In tetrahydrofuran; for 0.5h;

Reference yield:

4-nitrophenyl 2-chloropropionate (141479-87-0) → 2-Chloro-propionic acid 4-amino-phenyl ester

Guidance literature:

With tin(ll) chloride; In ethanol;

Reference yield:

4-nitrophenyl 2-chloropropionate (141479-87-0) → 2-Chloro-propionic acid 4-{[1-(5-decyloxy-pyridin-2-yl)-meth-(E)-ylidene]-amino}-phenyl ester

Guidance literature:

Multi-step reaction with 2 steps

1: SnCl_2.2H₂O / ethanol

2: ethanol; acetic acid / Ambient temperature

With tin(ll) chloride; In ethanol; acetic acid;

upstream raw materials:

4-nitro-phenol

2-chloropropionyl chloride

Refernces

• 1、 Greenhill, John V.,Taylor, Edward C.. "ENAMINONES IN THE PREPARATION OF 1,2-DIAZETIDIN-4-ONES". . p. 2417 - 2427. Retrieved 2007/10/02.