12H-Benzo[a]phenothiazine

Base Information

• Chemical Name: 12H-Benzo[a]phenothiazine
• CAS No.: 225-83-2
• Molecular Formula: C16H11 N S
• Molecular Weight: 249.336
• Hs Code.: 2934999090
• European Community (EC) Number: 205-931-8
• NSC Number: 88195
• UNII: KCP1A0JVZ9
• DSSTox Substance ID: DTXSID8059760
• Nikkaji Number: J193.682D
• Wikidata: Q81988953
• ChEMBL ID: CHEMBL390824
• Mol file: 225-83-2.mol

Synonyms:(12H)-benzo(a)phenothiazine;benzo(a)phenothiazine;benzophenothiazine

Chemical Property of 12H-Benzo[a]phenothiazine

Chemical Property:

• Vapor Pressure: 6.36E-09mmHg at 25°C
• Melting Point: 136-137 °C
• Boiling Point: 467.7°Cat760mmHg
• PKA: -0.11±0.20(Predicted)
• Flash Point: 236.7°C
• PSA: 37.33000
• Density: 1.274g/cm³
• LogP: 5.18600
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 249.06122053
• Heavy Atom Count: 18
• Complexity: 306

Purity/Quality:

99%, ^*data from raw suppliers

12H-BENZO[A]PHENOTHIAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2NC4=CC=CC=C4S3

Technology Process of 12H-Benzo[a]phenothiazine

There total 12 articles about 12H-Benzo[a]phenothiazine 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: 87.0%

2-amino-benzenethiol (137-07-5) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0) → benzophenothiazine (225-83-2)

Guidance literature:

In dimethyl sulfoxide; at 110 ℃; for 24h;

DOI:10.1021/acs.orglett.6b03324

Reference yield: 68.5%

o-bromothiophenol (6320-02-1) + C12H10INO → benzophenothiazine (225-83-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 135 ℃; for 10h; Inert atmosphere;

Reference yield:

N-phenyl-1-naphthylamine (90-30-2) → benzophenothiazine (225-83-2)

Guidance literature:

With sulfur; at 240 ℃;

upstream raw materials:

N-phenyl-1-naphthylamine

1-amino-naphthalene

aniline

12H-benzo[a]phenothiazine-10-carboxylic acid

Downstream raw materials:

12-(2-Chlor-ethyl)-12H-benzophenthiazin

1-Carboxy-12H-benzophenothiazin

12-acetyl-5-(2,6-diphenyl-pyridin-4-yl)-12H-benzo[a]phenothiazine

5-(2,6-diphenyl-pyridin-4-yl)-12H-benzo[a]phenothiazine

Refernces

• 1、 -. "Benzophenothiazine-based n-type organic dye as well as preparation method and application thereof". Paragraph 0039-0040. . Retrieved 2021/09/01.
• 2、 Lin, Ya-mei,Lu, Guo-ping,Wang, Rong-kang,Yi, Wen-bin. "Radical Route to 1,4-Benzothiazine Derivatives from 2-Aminobenzenethiols and Ketones under Transition-Metal-Free Conditions". supporting information. p. 6424 - 6427. Retrieved 2016/12/23.