1-Chlorophenothiazine

Base Information

• Chemical Name: 1-Chlorophenothiazine
• CAS No.: 1910-85-6
• Molecular Formula: C12H8 Cl N S
• Molecular Weight: 233.721
• Hs Code.: 2934300000
• Mol file: 1910-85-6.mol

Synonyms:Phenothiazine,1-chloro- (7CI,8CI); 1-Chloro-10H-phenothiazine; 1-Chlorophenothiazine; NSC516775

Chemical Property of 1-Chlorophenothiazine

Chemical Property:

• Vapor Pressure: 2.31E-06mmHg at 25°C
• Melting Point: 92 °C
• Boiling Point: 392.3°Cat760mmHg
• PKA: -2.98±0.20(Predicted)
• Flash Point: 191.1°C
• PSA: 37.33000
• Density: 1.346g/cm³
• LogP: 4.68620
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

1-Chlorophenothiazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1-Chlorophenothiazine is used in electronic structure and physical-chemical properties relationship for phenothiazine derivatives by quantum chemical calculations.

Technology Process of 1-Chlorophenothiazine

There total 15 articles about 1-Chlorophenothiazine 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: 77.0%

10H-phenothiazine (92-84-2) → 1-chlorophenothiazine (1910-85-6)

Guidance literature:

With n-butyllithium; hexachloroethane; In diethyl ether; hexane; 1.) 24 h, 2.) 20 min;

Reference yield: 73.0%

N-[2-Chloro-6-(2-nitro-phenylsulfanyl)-phenyl]-formamide (93091-66-8) → 1-chlorophenothiazine (1910-85-6)

Guidance literature:

With potassium hydroxide; In ethanol; acetone; for 2.5h; Heating;

DOI:10.1002/jhet.5570210352

Reference yield: 64.0%

1,2-Dichloro-3-iodobenzene (2401-21-0) + thioacetic acid S-(2-acetylamino-phenyl)ester (1204-55-3) → 1-chlorophenothiazine (1910-85-6)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 130 ℃; for 10h; Inert atmosphere;

DOI:10.1080/00397911.2017.1281959

upstream raw materials:

N-phenyl-2-chloroaniline

10H-phenothiazine

(2-chloro-phenyl)-(2-nitro-phenyl)-sulfane

1,3-dichloro-2-(2-nitro-phenylsulfanyl)-benzene

Downstream raw materials:

10-benzyl-1-chlorophenothiazine

Refernces

• 1、 Katritzky,Vazquez de Miguel,Rewcastle. "Specific synthesis of 1-substituted phenothiazines using carbon dioxide protection of the NH group during lithiation". . p. 215 - 217. Retrieved 2007/10/02.
• 2、 Hallberg, Anders,Martin, Arnold R.. "A NEW SYNTHESIS OF 1-CHLOROPHENOTHIAZINE". . p. 467 - 470. Retrieved 2007/10/02.