4-Chlorophenothiazine

Base Information

• Chemical Name: 4-Chlorophenothiazine
• CAS No.: 7369-69-9
• Molecular Formula: C12H8ClNS
• Molecular Weight: 233.721
• UNII: BHU8S7ZUG2
• DSSTox Substance ID: DTXSID90403905
• Nikkaji Number: J3.364.110I
• Mol file: 7369-69-9.mol

Synonyms:4-Chlorophenothiazine;4-chloro-10H-phenothiazine;7369-69-9;10H-Phenothiazine, 4-chloro-;BHU8S7ZUG2;4-Chlorphenothiazin;UNII-BHU8S7ZUG2;Oprea1_702130;SCHEMBL7069691;DTXSID90403905;NZOYBWLCZWTECI-UHFFFAOYSA-N;MFCD01075711;AKOS015995116;AS-57567;CS-0060602;FT-0618239;W18006;J-515179

Chemical Property of 4-Chlorophenothiazine

Chemical Property:

• Vapor Pressure: 4.68E-06mmHg at 25°C
• Melting Point: 116-117 °C
• Refractive Index: 1.68
• Boiling Point: 382.6 °C at 760 mmHg
• PKA: -2.39±0.20(Predicted)
• Flash Point: 185.2 °C
• PSA: 37.33000
• Density: 1.346 g/cm³
• LogP: 4.68620
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Acetone, DMSO (Slightly), Ethanol (Slightly)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 233.0065981
• Heavy Atom Count: 15
• Complexity: 236

Purity/Quality:

98%Min ^*data from raw suppliers

4-Chlorophenothiazine ^*data from reagent suppliers

Safty Information:

• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC3=C(S2)C(=CC=C3)Cl
• Uses: Intermediate in the preparation of Prochlorperazine (P755800) and related compound.

Technology Process of 4-Chlorophenothiazine

There total 1 articles about 4-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:

3-chlorodiphenylamine (101-17-7) → 4-chloro-10H-phenothiazine (7369-69-9) + 2-chlorophenothiazine (92-39-7)

Guidance literature:

With iodine; sulfur;

Reference yield:

4-chloro-10H-phenothiazine (7369-69-9) → 10-[3,5-bis(pyridin-2-yl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-10H-phenothiazine

Guidance literature:

Multi-step reaction with 3 steps

1: bis(dibenzylideneacetone)-palladium⁽⁰⁾; dicyclohexyl(2',4',6'-triisopropyl-[1,1'-biphenyl]-3-yl)phosphine; potassium acetate / 1,4-dioxane / 14 h / 80 °C / Inert atmosphere

2: potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,4-dioxane; water / 20 h / 95 °C / Inert atmosphere

3: potassium carbonate; palladium diacetate; tri-tert-butyl phosphine; 18-crown-6 ether / 5,5-dimethyl-1,3-cyclohexadiene; hexane / 14 h / 150 °C / Inert atmosphere

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; 18-crown-6 ether; tri-tert-butyl phosphine; dicyclohexyl(2',4',6'-triisopropyl-[1,1'-biphenyl]-3-yl)phosphine; potassium acetate; palladium diacetate; potassium carbonate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In 1,4-dioxane; 5,5-dimethyl-1,3-cyclohexadiene; hexane; water;

Reference yield:

4-chloro-10H-phenothiazine (7369-69-9) → 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(quinolin-8-yl)-10H-phenothiazine

Guidance literature:

Multi-step reaction with 3 steps

1: bis(dibenzylideneacetone)-palladium⁽⁰⁾; dicyclohexyl(2',4',6'-triisopropyl-[1,1'-biphenyl]-3-yl)phosphine; potassium acetate / 1,4-dioxane / 14 h / 80 °C / Inert atmosphere

2: potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,4-dioxane; water / 20 h / 95 °C / Inert atmosphere

3: potassium carbonate; palladium diacetate; tri-tert-butyl phosphine; 18-crown-6 ether / 5,5-dimethyl-1,3-cyclohexadiene; hexane / 14 h / 150 °C / Inert atmosphere

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; 18-crown-6 ether; tri-tert-butyl phosphine; dicyclohexyl(2',4',6'-triisopropyl-[1,1'-biphenyl]-3-yl)phosphine; potassium acetate; palladium diacetate; potassium carbonate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In 1,4-dioxane; 5,5-dimethyl-1,3-cyclohexadiene; hexane; water;

upstream raw materials:

3-chlorodiphenylamine

Refernces