6-Chlorophenanthridine

Base Information

• Chemical Name: 6-Chlorophenanthridine
• CAS No.: 15679-03-5
• Molecular Formula: C13H8ClN
• Molecular Weight: 213.666
• Hs Code.: 2933990090
• European Community (EC) Number: 921-495-8,663-476-4
• NSC Number: 134379,111845
• DSSTox Substance ID: DTXSID90296819
• Nikkaji Number: J541.676K
• Wikidata: Q82037602
• Mol file: 15679-03-5.mol

Synonyms:6-chlorophenanthridine;15679-03-5;MFCD01628084;phenanthridine, 6-chloro-;Phenanthridine,6-chloro-;NSC111845;Clc1nc2ccccc2c3ccccc13;SCHEMBL516091;AMY7441;DTXSID90296819;NSC134379;STK663857;AKOS002665088;CS-W018434;DS-5237;NSC 111845;NSC 134379;NSC-111845;NSC-134379;SY115520;FT-0756347;O11584;AE-641/11429310

Chemical Property of 6-Chlorophenanthridine

Chemical Property:

• Vapor Pressure: 1.44E-05mmHg at 25°C
• Melting Point: 117-118 °C
• Refractive Index: 1.728
• Boiling Point: 377.7 °C at 760 mmHg
• PKA: 2.36±0.40(Predicted)
• Flash Point: 214.1 °C
• PSA: 12.89000
• Density: 1.312 g/cm³
• LogP: 4.04140
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 213.0345270
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

6-Chlorophenanthridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N=C2Cl

Technology Process of 6-Chlorophenanthridine

There total 21 articles about 6-Chlorophenanthridine 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: 96.3%

phenanthridin-6-ol (1015-89-0) → 6-chlorophenanthridine (15679-03-5)

Guidance literature:

With trichlorophosphate; In toluene; for 19h; Reflux; Inert atmosphere;

DOI:10.1021/acs.joc.7b02775

Reference yield: 96.0%

6(5H)-phenanthridinone (1015-89-0) → 6-chlorophenanthridine (15679-03-5)

Guidance literature:

With trichlorophosphate; for 3h; Reflux;

Reference yield: 91.0%

N-formyl-2-aminobiphenyl (5346-21-4) → 6-chlorophenanthridine (15679-03-5)

Guidance literature:

With thionyl chloride; sulfuryl dichloride; titanium tetrachloride; In toluene; at -10 - 0 ℃; Reagent/catalyst; Reflux;

upstream raw materials:

phenanthridine N-oxide

6(5H)-phenanthridinone

5-(benzyl)phenanthridin-6(5H)-one

N-formyl-2-aminobiphenyl

Downstream raw materials:

4,4-dimethylmorpholinium chloride

Refernces

• 1、 Gao, Yuzhen,Cai, Zhihua,Li, Shangda,Li, Gang. "Rhodium(I)-Catalyzed Aryl C-H Carboxylation of 2-Arylanilines with CO2". supporting information. p. 3663 - 3669. Retrieved 2019/05/17.
• 2、 Todorov, Aleksandar R.,Wirtanen, Tom,Helaja, Juho. "Photoreductive Removal of O-Benzyl Groups from Oxyarene N-Heterocycles Assisted by O-Pyridine-pyridone Tautomerism". . p. 13756 - 13767. Retrieved 2017/12/26.