10H-Phenothiazine, 10-((2,4,6-tribromophenoxy)acetyl)-

Base Information

• Chemical Name: 10H-Phenothiazine, 10-((2,4,6-tribromophenoxy)acetyl)-
• CAS No.: 136776-26-6
• Molecular Formula: C₂₀H₁₂Br₃NO₂S
• Molecular Weight: 570.099
• DSSTox Substance ID: DTXSID20159923
• Wikidata: Q83028298
• Mol file: 136776-26-6.mol

Synonyms:BRN 4889038;10H-Phenothiazine, 10-((2,4,6-tribromophenoxy)acetyl)-;136776-26-6;10-((2,4,6-Tribromophenoxy)acetyl)-10H-phenothiazine;C20H12Br3NO2S;DTXSID20159923;C20-H12-Br3-N-O2-S;LS-105690

Chemical Property of 10H-Phenothiazine, 10-((2,4,6-tribromophenoxy)acetyl)-

Chemical Property:

• Vapor Pressure: 4.27E-18mmHg at 25°C
• Boiling Point: 675.3°Cat760mmHg
• Flash Point: 362.2°C
• Density: 1.87g/cm³
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 568.81184
• Heavy Atom Count: 27
• Complexity: 505

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC4=C(C=C(C=C4Br)Br)Br

Technology Process of 10H-Phenothiazine, 10-((2,4,6-tribromophenoxy)acetyl)-

There total 2 articles about 10H-Phenothiazine, 10-((2,4,6-tribromophenoxy)acetyl)- 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: 60.0%

10H-phenothiazine (92-84-2) + 2,4,6-tribromophenoxyacetyl chloride (39784-12-8) → 1-Phenothiazin-10-yl-2-(2,4,6-tribromo-phenoxy)-ethanone (136776-26-6)

Guidance literature:

With sodium hydroxide; In methanol; diethyl ether; ethyl acetate;

Reference yield:

(2,4,6-tribromo-phenoxy)-acetic acid (84998-84-5) → 1-Phenothiazin-10-yl-2-(2,4,6-tribromo-phenoxy)-ethanone (136776-26-6)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / benzene; ethyl acetate; methanol / 8 h / Heating

2: 60 percent / 4N NaOH / ethyl acetate; methanol; diethyl ether

With sodium hydroxide; thionyl chloride; In methanol; diethyl ether; ethyl acetate; benzene;

upstream raw materials:

10H-phenothiazine

2,4,6-tribromophenoxyacetyl chloride

(2,4,6-tribromo-phenoxy)-acetic acid

Refernces