Pyroquilon

Base Information

• Chemical Name: Pyroquilon
• CAS No.: 57369-32-1
• Deprecated CAS: 84930-99-4
• Molecular Formula: C11H11 N O
• Molecular Weight: 173.21
• Hs Code.: 2933499012
• European Community (EC) Number: 611-516-6
• UNII: WS195Z0WJH
• DSSTox Substance ID: DTXSID6058132
• Nikkaji Number: J11.751J
• Wikidata: Q19298813
• Metabolomics Workbench ID: 47617
• ChEMBL ID: CHEMBL144366
• Mol file: 57369-32-1.mol

Synonyms:pyroquilon

Chemical Property of Pyroquilon

Chemical Property:

• Vapor Pressure: 3.19E-05mmHg at 25°C
• Melting Point: 112℃
• Boiling Point: 355.2 °C at 760 mmHg
• PKA: 1.81±0.20(Predicted)
• Flash Point: 173.7 °C
• PSA: 22.00000
• Density: 1.25 g/cm³
• LogP: 1.79050
• Storage Temp.: 0-6°C
• Water Solubility.: 4000 mg l-1 (20 °C)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 173.084063974
• Heavy Atom Count: 13
• Complexity: 238

Purity/Quality:

98%Min ^*data from raw suppliers

Pyroquilon ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-52/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC(=O)N2CCC3=CC=CC1=C32
• Uses: Pyroquilon is used for the control of blast (Pyricularia oryzae) in rice.

Technology Process of Pyroquilon

There total 25 articles about Pyroquilon 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: 99.0%

(E)-butyl 3-(1-(pyridin-2-ylsulfonyl)indolin-7-yl)acrylate (1423075-26-6) → pyroquilone (57369-32-1,84930-99-4)

Guidance literature:

With magnesium; In methanol; at 20 ℃; Inert atmosphere; Sonication;

DOI:10.1021/ol400206k

Reference yield: 95.0%

methyl (E)-3-(1-(((E)-2,6-dimethylbenzylidene)amino)-1H-indol-7-yl)acrylate → pyroquilone (57369-32-1,84930-99-4)

Guidance literature:

With hydrogen; In ethanol; at 70 ℃; for 6h; under 30003 Torr; Autoclave;

DOI:10.1055/s-0036-1588530

Reference yield: 84.0%

methyl 3-(2,3-dihydroindol-7-yl)acrylate (114144-20-6) → pyroquilone (57369-32-1,84930-99-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 1.75h; Ambient temperature;

upstream raw materials:

N-(β-chloropropionyl)-indoline

methyl 3-(2,3-dihydroindol-7-yl)acrylate

N-(3-Bromopropionyl)-7-<(4-methylphenyl)sulfonyl>indoline

1-(tert-butoxycarbonyl)indoline

Downstream raw materials:

8-[(4-fluorophenyl)(1H-imidazol-1-yl)methyl]-1,2,5,6-tetrahydropyrrolo[3,2,1-ij]quinolin-4-one

8-[(1H-imidazol-1-yl)(4-methoxyphenyl)methyl]-1,2,5,6-tetrahydropyrrolo[3,2,1-ij]quinolin-4-one

8-[(3-fluorophenyl)(1H-imidazol-1-yl)methyl]-1,2,5,6-tetrahydropyrrolo[3,2,1-ij]quinolin-4-one

8-[(2-fluorophenyl)(1H-imidazol-1-yl)methyl]-1,2,5,6-tetrahydropyrrolo[3,2,1-ij]quinolin-4-one

Refernces

• 1、 Cao, Xudong,Zhang, Yifang,Chen, Yin,Qiu, Yinli,Yu, Minquan,Xu, Xiangqing,Liu, Xin,Liu, Bi-Feng,Zhang, Liangren,Zhang, Guisen. "Synthesis and Biological Evaluation of Fused Tricyclic Heterocycle Piperazine (Piperidine) Derivatives As Potential Multireceptor Atypical Antipsychotics". . p. 10017 - 10039. Retrieved 2018.
• 2、 Mayer, Robert J.,Hampel, Nathalie,Mayer, Peter,Ofial, Armin R.,Mayr, Herbert. "Synthesis, Structure, and Properties of Amino-Substituted Benzhydrylium Ions – A Link between Ordinary Carbocations and Neutral Electrophiles". supporting information. p. 412 - 421. Retrieved 2018/09/14.