1-(10-(3-Chloropropyl)-10H-phenothiazin-2-yl)ethan-1-one

Base Information

• Chemical Name: 1-(10-(3-Chloropropyl)-10H-phenothiazin-2-yl)ethan-1-one
• CAS No.: 39481-55-5
• Molecular Formula: C17H16ClNOS
• Molecular Weight: 317.839
• Hs Code.: 2934300000
• European Community (EC) Number: 254-469-3
• UNII: U84FN3RBS5
• DSSTox Substance ID: DTXSID90192620
• Nikkaji Number: J261.368I
• Wikidata: Q83065282
• Mol file: 39481-55-5.mol

Synonyms:39481-55-5;1-(10-(3-Chloropropyl)-10H-phenothiazin-2-yl)ethan-1-one;1-[10-(3-chloropropyl)phenothiazin-2-yl]ethanone;EINECS 254-469-3;1-[10-(3-CHLOROPROPYL)-10H-PHENOTHIAZIN-2-YL]ETHAN-1-ONE;U84FN3RBS5;1-(10-(3-Chloropropyl)phenothiazin-2-yl)ethanone;Ethanone, 1-(10-(3-chloropropyl)-10H-phenothiazin-2-yl)-;1-[10-(3-Chloropropyl)-10H-phenothiazin-2-yl]ethanone;1-(10-(3-CHLOROPROPYL)-10H-PHENOTHIAZIN-2-YL)ETHANONE;starbld0008884;C17H16ClNOS;UNII-U84FN3RBS5;C17-H16-Cl-N-O-S;DTXSID90192620;AKOS030240236;1-(10-(3-chloropropyl)-10h-phenothiazin-2-yl) ethanone

Chemical Property of 1-(10-(3-Chloropropyl)-10H-phenothiazin-2-yl)ethan-1-one

Chemical Property:

• Vapor Pressure: 2.12E-10mmHg at 25°C
• Boiling Point: 507°Cat760mmHg
• Flash Point: 260.4°C
• PSA: 45.61000
• Density: 1.253g/cm³
• LogP: 5.18580
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 317.0641130
• Heavy Atom Count: 21
• Complexity: 378

Purity/Quality:

99% ^*data from raw suppliers

2-Acetyl-10-(3-chloropropyl)phenothiazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCCl
• Uses: 2-Acetyl-10-(3-chloropropyl)phenothiazine is an intermediate in the synthesis of Acetophenazine Dimaleate (A163930), an antipsychotic agent.

Technology Process of 1-(10-(3-Chloropropyl)-10H-phenothiazin-2-yl)ethan-1-one

There total 2 articles about 1-(10-(3-Chloropropyl)-10H-phenothiazin-2-yl)ethan-1-one 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:

2-acetylphenothiazine (6631-94-3) + 1.3-chlorobromopropane (109-70-6) → 2-acetyl-10-(3'-chloropropyl)-10H-phenothiazine (39481-55-5)

Guidance literature:

With ammonia; sodium amide;

Reference yield:

1-iodo-3-chloro-propane (6940-76-7) + 2-acetylphenothiazine (6631-94-3) → 2-acetyl-10-(3'-chloropropyl)-10H-phenothiazine (39481-55-5)

Guidance literature:

2-acetylphenothiazine; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.5h;

1-iodo-3-chloro-propane; In N,N-dimethyl-formamide; at 0 ℃; for 1h;

DOI:10.1002/asia.201900587

Reference yield:

2-acetyl-10-(3'-chloropropyl)-10H-phenothiazine (39481-55-5) + dimethyl amine (124-40-3) → acetopromazine (61-00-7)

Guidance literature:

In ethanol;

upstream raw materials:

2-acetylphenothiazine

1.3-chlorobromopropane

1-iodo-3-chloro-propane

Downstream raw materials:

2-Acetyl-10-<3-piperidino-propyl>-phenothiazin

acetopromazine

Refernces

• 1、 Hulshof, Janneke W.,Vischer, Henry F.,Verheij, Mark H.P.,Fratantoni, Silvina A.,Smit, Martine J.,de Esch, Iwan J.P.,Leurs, Rob. "Synthesis and pharmacological characterization of novel inverse agonists acting on the viral-encoded chemokine receptor US28". . p. 7213 - 7230. Retrieved 2007/10/03.