Phthalazine 2-oxide

Base Information

• Chemical Name: Phthalazine 2-oxide
• CAS No.: 18636-89-0
• Molecular Formula: C8H6 N2 O
• Molecular Weight: 146.148
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20916699
• Wikidata: Q82888010
• Mol file: 18636-89-0.mol

Synonyms:Phthalazine 2-oxide;Phthalazine-2-oxide;18636-89-0;PHTHALAZIN-2-IUM-2-OLATE;phthalazine oxide;Phthalazine N-oxide;starbld0012460;SCHEMBL503710;DTXSID20916699;PRBHEDKMKAOBBP-UHFFFAOYSA-N;AKOS006277208

Chemical Property of Phthalazine 2-oxide

Chemical Property:

• Vapor Pressure: 0.000169mmHg at 25°C
• Boiling Point: 340.5°Cat760mmHg
• Flash Point: 159.7°C
• PSA: 38.35000
• Density: 1.24g/cm³
• LogP: 1.66330
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 146.048012819
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

PHTHALAZINE-2-OXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=[N+](N=CC2=C1)[O-]

Technology Process of Phthalazine 2-oxide

There total 2 articles about Phthalazine 2-oxide 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: 75.0%

PHTHALAZINE (253-52-1) → phthalazine 2-oxide (18636-89-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 1h;

DOI:10.1039/c8cc01735b

Reference yield:

→ phthalazine 2-oxide (18636-89-0)

Guidance literature:

Phthalazin, Monoperphthalsaeure, Bzl, Ae.;

Reference yield: 85.0%

4-methoxyphenyl triflate (66107-29-7) + phthalazine 2-oxide (18636-89-0) → 1-(4-methoxyphenyl)phthalazine 2-oxide (1174000-53-3)

Guidance literature:

With di-tert-butyl(methyl)phosphonium tetrafluoroborate salt; palladium diacetate; potassium carbonate; Trimethylacetic acid; In toluene; at 110 ℃; for 15h; Inert atmosphere;

DOI:10.1016/j.tet.2009.03.077

upstream raw materials:

PHTHALAZINE

Downstream raw materials:

1-(4-methoxyphenyl)phthalazine 2-oxide

PHTHALAZINE

Refernces

• 1、 Zhang, Dong,Cai, Jinlin,Du, Jinze,Wang, Qingdong,Yang, Jinming,Geng, Rongqing,Fang, Zheng,Guo, Kai. "Electrochemical-Oxidation-Promoted Direct N-ortho-Selective Difluoromethylation of Heterocyclic N-Oxides". supporting information. p. 1434 - 1438. Retrieved 2022/03/01.
• 2、 Bertuzzi, Giulio,Pecorari, Daniel,Bernardi, Luca,Fochi, Mariafrancesca. "An organocatalytic enantioselective direct α-heteroarylation of aldehydes with isoquinoline: N -oxides". supporting information. p. 3977 - 3980. Retrieved 2018/04/23.