1,4-Dichlorophthalazine

Base Information

• Chemical Name: 1,4-Dichlorophthalazine
• CAS No.: 4752-10-7
• Molecular Formula: C8H4Cl2N2
• Molecular Weight: 199.039
• Hs Code.: 29339900
• European Community (EC) Number: 225-275-6
• UNII: 0OW60266KO
• DSSTox Substance ID: DTXSID1049306
• Nikkaji Number: J236.381J
• Wikidata: Q27237051
• ChEMBL ID: CHEMBL3185198
• Mol file: 4752-10-7.mol

Synonyms:1,4-Dichlorophthalazine;4752-10-7;Phthalazine, 1,4-dichloro-;1,4-dichloro-phthalazine;CCRIS 6799;DTXSID1049306;0OW60266KO;EINECS 225-275-6;MFCD00006909;dichlorophthalazine;1,4-dichloropthalazine;1,4-dichorophthalazine;1,4-Dichlorophtalazine;1,4 Dichlorophthalazine;1.4-Dichlorophthalazine;SCHEMBL345211;UNII-0OW60266KO;1,4-Dichlorophthalazine, 95%;CHEMBL3185198;DTXCID7029162;BCP27059;Tox21_202959;STL368740;AKOS002665045;AC-5102;CS-W010520;SB10525;NCGC00260505-01;AS-11330;SY007673;CAS-4752-10-7;LS-188337;AM20050450;BB 0258785;D3749;FT-0635427;EN300-49124;W-106070;Q27237051;Z57112031

Chemical Property of 1,4-Dichlorophthalazine

Chemical Property:

• Appearance/Colour: powder
• Vapor Pressure: 3.67E-06mmHg at 25°C
• Melting Point: 160-162 °C(lit.)
• Refractive Index: 1.67
• Boiling Point: 397.3 °C at 760 mmHg
• PKA: -0.44±0.30(Predicted)
• Flash Point: 226.4 °C
• PSA: 25.78000
• Density: 1.486 g/cm³
• LogP: 2.93660
• Storage Temp.: ?20°C
• Sensitive.: Moisture Sensitive
• Solubility.: Chloroform, Methanol
• Water Solubility.: Sparingly soluble in water.(0.26 g/L) (25°C),
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 197.9751535
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

1,4-Dichlorophthalazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=NN=C2Cl)Cl
• Uses: 1,4-Dichlorophthalazine Oftens used building block in medicinal chemistry synthesis.1,2 1,4-Dichlorophthalazine was used as starting reagent in the synthesis of series of 4-aryl-1-(4-methylpiperazin-1-yl)phthalazines. It was used as coupling reagent in the synthesis of novel soluble polymer-bound ligand. It was often used as building block in medicinal chemistry synthesis.

Technology Process of 1,4-Dichlorophthalazine

There total 14 articles about 1,4-Dichlorophthalazine 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: 97.9%

2,3-dihydrophthalazine-1,4-dione (1445-69-8) → 1,4-dichlorophthalazine (4752-10-7)

Guidance literature:

With chlorine; phosphorus trichloride; In chloroform; at 105 ℃; under 7500.75 Torr; Reagent/catalyst; Temperature;

Reference yield: 97.0%

1,4-dihydroxyphthalazine (1445-69-8) → 1,4-dichlorophthalazine (4752-10-7)

Guidance literature:

With dmap; thionyl chloride; bis(trichloromethyl) carbonate; for 8h; Reflux; Green chemistry;

DOI:10.1021/acs.oprd.9b00407

Reference yield: 97.0%

→ 1,4-dichlorophthalazine (4752-10-7)

Guidance literature:

With dmap; thionyl chloride; bis(trichloromethyl) carbonate; at 65 - 70 ℃;

upstream raw materials:

2,3-dihydrophthalazine-1,4-dione

N-aminophthalamide

PHTHALAZINE

1,4-dihydroxyphthalazine

Downstream raw materials:

1-Chloro-4-methoxyphthalazine

1-chloro-4-ethoxyphthalazine

1,4-diphenoxyphthalazine

4-chloro-N-phenylphthalazin-1-amine

Refernces

• 1、 Chung, Cheng-Yen,Li, Sin-Min,Lin, Hui-Yi,Tsai, Shuo-En,Tseng, Ching-Chun,Wong, Fung Fuh. "Structural identification between phthalazine-1,4-diones and n-aminophthalimides via vilsmeier reaction: Nitrogen cyclization and tautomerization study". . . Retrieved 2021/05/31.
• 2、 Frett, Brendan,Kharbanda, Anupreet,Leung, Yuet-Kin,Li, Hong-yu,Li, Ming O.,Saha, Debasmita,Tran, Phuc,Xu, Ke,Zhang, Lingtian. "Discovery and biological evaluation of phthalazines as novel non-kinase TGFβ pathway inhibitors". supporting information. . Retrieved 2021/07/13.