1,1'-(10H-Phenothiazine-2,10-diyl)bisethan-1-one

Base Information

• Chemical Name: 1,1'-(10H-Phenothiazine-2,10-diyl)bisethan-1-one
• CAS No.: 6632-11-7
• Molecular Formula: C16H13 N O2 S
• Molecular Weight: 283.351
• Hs Code.: 2934300000
• European Community (EC) Number: 229-628-5
• NSC Number: 57971
• UNII: 6N8956723X
• DSSTox Substance ID: DTXSID00216528
• Nikkaji Number: J298.023A
• Wikidata: Q83092759
• ChEMBL ID: CHEMBL41418
• Mol file: 6632-11-7.mol

Synonyms:NSC57971;6632-11-7;1-(10-acetylphenothiazin-2-yl)ethanone;1,1'-(10H-Phenothiazine-2,10-diyl)bisethan-1-one;CHEMBL41418;NSC-57971;6N8956723X;1-(10-acetyl-10H-phenothiazin-2-yl)ethanone;NCIOpen2_002254;SCHEMBL4622014;DTXSID00216528;UNII-6N8956723X;EINECS 229-628-5;BDBM50408495;NSC 57971;AKOS040753331;1-(2-ACETYLPHENOTHIAZIN-10-YL)ETHANONE;1,1'-(10H-Phenothiazine-2,10-diyl)bisethanone;1,1'-(10H-PHENOTHIAZINE-2,10-DIYL)BIS(ETHANONE);ETHANONE, 1,1'-(10H-PHENOTHIAZINE-2,10-DIYL)BIS-

Chemical Property of 1,1'-(10H-Phenothiazine-2,10-diyl)bisethan-1-one

Chemical Property:

• Boiling Point: 567.8±49.0 °C(Predicted)
• PKA: -5.52±0.20(Predicted)
• Flash Point: 278.7oC
• PSA: 62.68000
• Density: 1.291±0.06 g/cm3(Predicted)
• LogP: 4.10340
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 283.06669983
• Heavy Atom Count: 20
• Complexity: 411

Purity/Quality:

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=C3N2C(=O)C

Technology Process of 1,1'-(10H-Phenothiazine-2,10-diyl)bisethan-1-one

There total 8 articles about 1,1'-(10H-Phenothiazine-2,10-diyl)bisethan-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: 100.0%

2-acetylphenothiazine (6631-94-3) + acetyl chloride (75-36-5) → 1-(2-acetyl-10H-phenothiazin-10-yl)ethan-1-one (6632-11-7)

Guidance literature:

In toluene; for 2.75h; Heating / reflux;

Reference yield:

10H-phenothiazine (92-84-2) → 1-(2-acetyl-10H-phenothiazin-10-yl)ethan-1-one (6632-11-7)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 2 h / Heating

2: AlCl₃ / CS₂ / 6 h / Heating

With aluminium trichloride; In carbon disulfide; toluene;

DOI:10.1021/jm960814j

Reference yield:

10-acetyl-10H-phenothiazine (1628-29-1) + acetyl chloride (75-36-5) → 1-(2-acetyl-10H-phenothiazin-10-yl)ethan-1-one (6632-11-7)

Guidance literature:

With carbon disulfide; aluminium trichloride;

DOI:10.1021/ja01216a078

upstream raw materials:

10-acetyl-10H-phenothiazine

acetic anhydride

acetyl chloride

10H-phenothiazine

Downstream raw materials:

2-acetylphenothiazine

10-acetyl-2-(1-phenylhydrazono-ethyl)-10H-phenothiazine

acetopromazine

2-Acetyl-10-methylphenothiazine