5,8-Dichloropyrido[2,3-d]pyridazine

Base Information

• Chemical Name: 5,8-Dichloropyrido[2,3-d]pyridazine
• CAS No.: 703-33-3
• Molecular Formula: C7H3 Cl2 N3
• Molecular Weight: 200.027
• Hs Code.: 2933990090
• European Community (EC) Number: 872-864-4
• NSC Number: 131225
• DSSTox Substance ID: DTXSID40299537
• Wikidata: Q82041999
• Mol file: 703-33-3.mol

Synonyms:5,8-dichloropyrido[2,3-d]pyridazine;703-33-3;5,8-DICHLOROPYRIDO[3,2-D]PYRIDAZINE;MFCD00193165;5,8-Dichloropyrido(2,3-d)pyridazine;NSC131225;SCHEMBL580638;DTXSID40299537;AMY15980;AKOS016004511;NSC 131225;NSC-131225;PB21674;DS-11506;SY011647;CS-0039080;EN300-2197397;A866631;Z1269218166

Chemical Property of 5,8-Dichloropyrido[2,3-d]pyridazine

Chemical Property:

• Vapor Pressure: 7.37E-07mmHg at 25°C
• Melting Point: 169℃
• Boiling Point: 419.5ºC at 760 mmHg
• PKA: -0.19±0.30(Predicted)
• Flash Point: 240ºC
• PSA: 38.67000
• Density: 1.573g/cm3
• LogP: 2.33160
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 198.9704025
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

≥95% ^*data from raw suppliers

5,8-dichloropyrido[2,3-d]pyridazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=NN=C2Cl)Cl)N=C1

Technology Process of 5,8-Dichloropyrido[2,3-d]pyridazine

There total 5 articles about 5,8-Dichloropyrido[2,3-d]pyridazine 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: 74.5%

pyrido[2,3-d]pyridazine-5,8(6H,7H)dione (4430-77-7) → 5,8-Dichloropyrido<2,3-d>pyridazine (703-33-3)

Guidance literature:

With pyridine; trichlorophosphate; at 110 ℃; for 1h;

DOI:10.1002/ardp.19883211223

Reference yield: 50.0%

→ 5,8-Dichloropyrido<2,3-d>pyridazine (703-33-3)

Guidance literature:

Reference yield: 38.0%

6,7-dihydropyrido[2,3-d]pyridazine-5,8-dione (4430-77-7) → 5,8-Dichloropyrido<2,3-d>pyridazine (703-33-3)

Guidance literature:

With trichlorophosphate; In pyridine; at 110 ℃;

DOI:10.1016/j.bmcl.2010.06.006

upstream raw materials:

pyrido[2,3-d]pyridazine-5,8(6H,7H)dione

6,7-dihydropyrido[2,3-d]pyridazine-5,8-dione

Pyridine-2,3-dicarboxylic anhydride

Downstream raw materials:

(R)-(4-(8-chloropyrido[3,2-d]pyridazin-5-yl)-3-methylpiperazin-1-yl)(phenyl)methanone

(R)-(4-(5-chloropyrido[2,3-d]pyridazin-8-yl)-3-methylpiperazin-1-yl)(phenyl)methanone

Refernces

• 1、 -. "KRAS G12C INHIBITORS AND METHODS OF USING THE SAME". Paragraph 0307. . Retrieved 2018/07/29.
• 2、 Dong, Zheng-Qi,Liu, Xiao-Mei,Wei, Cheng-Xi,Quan, Zhe-Shan. "Design, synthesis of 6-substituted-pyrido[3,2-d]pyridazine derivatives with anticonvulsant activity". . p. 595 - 601. Retrieved 2015/08/18.