1-Chloro-4-methoxyphthalazine

Base Information

• Chemical Name: 1-Chloro-4-methoxyphthalazine
• CAS No.: 19064-71-2
• Molecular Formula: C9H7 Cl N2 O
• Molecular Weight: 194.62
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20423292
• Nikkaji Number: J645.098I
• Wikidata: Q82235475
• Mol file: 19064-71-2.mol

Synonyms:1-chloro-4-methoxyphthalazine;19064-71-2;1-Chloro-4-methoxy-phthalazine;Phthalazine, 1-chloro-4-methoxy-;ChemDiv2_003701;1-methoxy-4-chlorophthalazine;SCHEMBL6939619;DTXSID20423292;GWYZIDACSVOFQB-UHFFFAOYSA-N;HMS1379I05;STL264262;AKOS000528607;CCG-321763;IDI1_002416;BB 0258784;CS-0232746;EU-0070501;FT-0762009;EN300-128460;F89953;A912238;SR-01000423560;SR-01000423560-1;F0901-7401

Chemical Property of 1-Chloro-4-methoxyphthalazine

Chemical Property:

• PSA: 35.01000
• LogP: 2.29180
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 194.0246905
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

98%min ^*data from raw suppliers

1-Chloro-4-methoxyphthalazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=NN=C(C2=CC=CC=C21)Cl

Technology Process of 1-Chloro-4-methoxyphthalazine

There total 5 articles about 1-Chloro-4-methoxyphthalazine 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: 85.0%

methanol (67-56-1) + 1,4-dichlorophthalazine (4752-10-7) → 1-Chloro-4-methoxyphthalazine (19064-71-2)

Guidance literature:

With sodium; for 0.5h; Heating;

DOI:10.1016/j.tet.2004.05.059

Reference yield: 65.0%

methanol (67-56-1) + 1-chloro-4-hydrazinophthalazine (51935-42-3,59275-72-8) → 1-Chloro-4-methoxyphthalazine (19064-71-2)

Guidance literature:

With thallium(III) nitrate trihydrate; for 1.5h; Ambient temperature;

DOI:10.1021/jo00110a059

Reference yield:

1,4-dichlorophthalazine (4752-10-7) → 3-methoxy-4,5-dimethyl-6-chloropyridazine + 1-Chloro-4-methoxyphthalazine (19064-71-2)

Guidance literature:

In methanol;

upstream raw materials:

1,4-dichlorophthalazine

sodium methylate

methanol

1-chloro-4-hydrazinophthalazine

Downstream raw materials:

1,4-bis(hydrazino)phthalazine

Refernces

• 1、 -. "NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME". . . Retrieved 2008/06/13.
• 2、 Kocevar, Marijan,Mihorko, Polona,Polanc, Slovenko. "An Efficient and Simple Thallium(III)-Induced Cleavage of the Hydrazino Moiety". . p. 1466 - 1469. Retrieved 2007/10/02.