5-Chloro-6-phenylpyridazin-3-ol

Base Information

• Chemical Name: 5-Chloro-6-phenylpyridazin-3-ol
• CAS No.: 51660-08-3
• Molecular Formula: C10H7 Cl N2 O
• Molecular Weight: 206.631
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40370956
• Nikkaji Number: J1.754.222B
• Wikidata: Q82158149
• ChEMBL ID: CHEMBL1313088
• Mol file: 51660-08-3.mol

Synonyms:51660-08-3;5-Chloro-6-phenylpyridazin-3-ol;4-Chloro-3-phenylpyridazin-6-ol;4-chloro-3-phenyl-1H-pyridazin-6-one;5-Chloro-6-phenylpyridazin-3(2H)-one;5-chloro-6-phenyl-3(2H)-pyridazinone;MLS000544887;SCHEMBL1550943;CHEMBL1313088;DTXSID40370956;ZIBQCQDAFOPHBJ-UHFFFAOYSA-N;HMS2326I08;BCA66008;MFCD00832211;AKOS005208222;AKOS015992290;SMR000126644;CS-0269874;FT-0620305;5-chloro-6-phenyl-2,3-dihydropyridazin-3-one;EN300-236010;5-Chloro-6-phenyl-2,3-dihydropyridazine-3-one;1R-1068;A828720;F1967-0467;Methyl2-{3-[3-(2-(7-chloroquinoline-2yl)ethenyl)phenyl]-3-oxopropyl}benzoate

Chemical Property of 5-Chloro-6-phenylpyridazin-3-ol

Chemical Property:

• Vapor Pressure: 4.44E-07mmHg at 25°C
• Melting Point: 235 °C
• Refractive Index: 1.641
• Boiling Point: 403.2°Cat760mmHg
• PKA: 9?+-.0.60(Predicted)
• Flash Point: 197.7°C
• PSA: 46.01000
• Density: 1.35g/cm³
• LogP: 2.50260
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 206.0246905
• Heavy Atom Count: 14
• Complexity: 303

Purity/Quality:

98%min ^*data from raw suppliers

4-chloro-3-phenyl-1H-pyridazin-6-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NNC(=O)C=C2Cl

Technology Process of 5-Chloro-6-phenylpyridazin-3-ol

There total 2 articles about 5-Chloro-6-phenylpyridazin-3-ol 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:

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 4-Chloro-6-oxo-3-phenyl-1,6-dihydropyridazine (51660-08-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 73 percent / AlCl₃ / 3 h / Ambient temperature

2: 67 percent / 80percent NH₂NH₂*H₂O

With aluminium trichloride; hydrazine hydrate;

DOI:10.3987/COM-90-5493

Reference yield:

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 4-Chloro-6-oxo-3-phenyl-1,6-dihydropyridazine (51660-08-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 73 percent / AlCl₃ / 3 h

2: NH₂-NH₂

With aluminium trichloride; hydrazine;

DOI:10.1002/jhet.5570350634

Reference yield: 98.0%

N,N-dimethyl-formamide dimethyl acetal (4637-24-5) + 4-Chloro-6-oxo-3-phenyl-1,6-dihydropyridazine (51660-08-3) → 5-chloro-2-methyl-6-phenylpyridazin-3(2H)-one (33389-38-7)

Guidance literature:

In N,N-dimethyl-formamide; Heating;

DOI:10.1081/SCC-120004258

upstream raw materials:

benzene

Downstream raw materials:

6-phenyl-5-(N¹-piperazinyl)-2H-pyridazin-3-one

5-amino-6-phenyl-1,6-dihydropyridazin-3(2H)-one

5-azido-6-phenyl-3(2H)-pyridazinone

6-phenyl-5-(N⁴-(2-furoyl)-N¹-piperazinyl)-2H-pyridazin-3-one

Refernces

• 1、 -. "PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS". . . Retrieved 2014/06/11.
• 2、 Ravina, Enrique,Teran, Carmen,Santana, Lourdes,Garcia, Neftali,Estevez, Isabel. "PYRIDAZINE DERIVATIVES, IX. SYNTHESIS OF 2H-PYRIDAZIN-3-ONES WITH AROYLPIPERAZINYL GROUPS". . p. 1967 - 1974. Retrieved 2007/10/02.