Propacetamol hydrochloride

Base Information

• Chemical Name: Propacetamol hydrochloride
• CAS No.: 66532-86-3
• Molecular Formula: C₁₄H₂₀N₂O₃*ClH
• Molecular Weight: 300.785
• Hs Code.: 2942000000
• European Community (EC) Number: 266-391-7
• UNII: SH41QYH8E5
• DSSTox Substance ID: DTXSID60216721
• Wikidata: Q27289205
• ChEMBL ID: CHEMBL1795480
• Mol file: 66532-86-3.mol

Synonyms:Propacetamol hydrochloride;66532-86-3;Propacetamol HCL;4-Acetamidophenyl 2-(diethylamino)acetate hydrochloride;Pro-efferalgan;Pro-Dafalgan;UNII-SH41QYH8E5;Propacetamol (hydrochloride);SH41QYH8E5;UP 34101;(4-acetamidophenyl) 2-(diethylamino)acetate hydrochloride;4-Acetamidophenyl N,N-diethylaminoacetate monohydrochloride;4-Acetamidophenyl 2-(Diethylamino)Acetate HCl;Glycine, N,N-diethyl-, 4-(acetylamino)phenyl ester, monohydrochloride;EINECS 266-391-7;UP-34101;Pro-dafalgan (TN);Propacetamol HCl Sterile;PROPACETAMOLHYDROCHLORIDE;CHEMBL1795480;DTXSID60216721;BCP21307;MFCD00941392;s4867;AKOS015888645;AC-4240;CCG-267476;PROPACETAMOL HYDROCHLORIDE [MI];AS-14148;PROPACETAMOL HYDROCHLORIDE [MART.];PROPACETAMOL HYDROCHLORIDE [WHO-DD];HY-108292;Propacetamol hydrochloride, >=98% (HPLC);CS-0028157;FT-0655178;C76095;D08434;PROPACETAMOL HYDROCHLORIDE [EP MONOGRAPH];4-Acetamidophenyl diethylaminoacetate hydrochloride;A867433;p-acetamidophenyl diethylaminoacetate hydrochloride;Q27289205;(4-acetamidophenyl) 2-(diethylamino)acetate;hydrochloride;(4-acetamidophenyl) 2-(diethylamino)ethanoate hydrochloride

Chemical Property of Propacetamol hydrochloride

Chemical Property:

• Appearance/Colour: White to off-white crystalline powder
• Vapor Pressure: 9.46E-08mmHg at 25°C
• Melting Point: 224-227oC
• Boiling Point: 434.5 °C at 760 mmHg
• Flash Point: 216.6 °C
• PSA: 58.64000
• LogP: 2.76720
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Freely soluble in water, slightly soluble in anhydrous ethanol, practically insoluble in acetone.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 300.1240702
• Heavy Atom Count: 20
• Complexity: 295

Purity/Quality:

99% ^*data from raw suppliers

PropacetamolHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CC(=O)OC1=CC=C(C=C1)NC(=O)C.Cl
• Recent ClinicalTrials: Dexamethasone Versus Local Infiltration Technique for Tonsillectomy in Children
• Description: Propacetamol is an injectable prodrug of paracetamol, useful in the symptomatic treatment of pain and fever.

Technology Process of Propacetamol hydrochloride

There total 5 articles about Propacetamol hydrochloride 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: 98.0%

4-acetamidophenyl 2-chloroacetate (17321-63-0) + diethylamine (109-89-7) → 2-(4-acetamidophenoxy)-N,N-diethyl-2-oxaethan-1-aminium chloride (66532-86-3)

Guidance literature:

4-acetamidophenyl 2-chloroacetate; diethylamine; In tetrahydrofuran; at 120 ℃; for 0.166667h; Microwave irradiation;

With hydrogenchloride; In water; acetone; Temperature; Solvent;

DOI:10.5935/0103-5053.20160005

Reference yield: 70.0%

4-acetaminophenol (103-90-2,8055-08-1) + N,N-diethylaminoacetic acid hydrochloride (24376-01-0) → 2-(4-acetamidophenoxy)-N,N-diethyl-2-oxaethan-1-aminium chloride (66532-86-3)

Guidance literature:

With pyridine; dicyclohexyl-carbodiimide; at 20 ℃;

DOI:10.1016/j.bmcl.2011.04.118

Reference yield: 50.0%

C10H10INO3 + diethylamine (109-89-7) → 2-(4-acetamidophenoxy)-N,N-diethyl-2-oxaethan-1-aminium chloride (66532-86-3)

Guidance literature:

C₁₀H₁₀INO₃; diethylamine; With triethylamine; at -60 ℃; for 12h;

With hydrogenchloride; In water; acetone;

DOI:10.5935/0103-5053.20160005

upstream raw materials:

ethyl N,N-diethylglycinate

4-acetaminophenol

N,N-diethylaminoacetic acid hydrochloride

diethylamine

Refernces

• 1、 -. "Improved propacetamol hydrochloride preparation process". Paragraph 0027-0031. . Retrieved 2017/01/12.