3-Bromo-6-methoxypyridazine

Base Information

• Chemical Name: 3-Bromo-6-methoxypyridazine
• CAS No.: 17321-29-8
• Molecular Formula: C5H5BrN2O
• Molecular Weight: 189.011
• Hs Code.: 2933990090
• NSC Number: 73310
• DSSTox Substance ID: DTXSID90291127
• Wikidata: Q72446387
• Mol file: 17321-29-8.mol

Synonyms:3-bromo-6-methoxypyridazine;17321-29-8;Pyridazine, 3-bromo-6-methoxy-;MFCD09702456;NSC73310;NCIOpen2_000516;SCHEMBL418686;DTXSID90291127;NSC-73310;AKOS006331469;CS-W018918;FS-2993;SY104796;FT-0732447;EN300-330075;A881797

Chemical Property of 3-Bromo-6-methoxypyridazine

Chemical Property:

• Vapor Pressure: 0.00106mmHg at 25°C
• Refractive Index: 1.546
• Boiling Point: 311 °C at 760 mmHg
• PKA: 0.74±0.10(Predicted)
• Flash Point: 141.9 °C
• PSA: 35.01000
• Density: 1.628 g/cm³
• LogP: 1.24770
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 187.95853
• Heavy Atom Count: 9
• Complexity: 91

Purity/Quality:

98%min ^*data from raw suppliers

3-Bromo-6-methoxypyridazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=NN=C(C=C1)Br

Technology Process of 3-Bromo-6-methoxypyridazine

There total 3 articles about 3-Bromo-6-methoxypyridazine 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: 92.0%

methanol (67-56-1) + 3,6-dibromopyridazine (17973-86-3) → 3-metossi-6-bromopiridazina (17321-29-8)

Guidance literature:

With potassium carbonate; at 90 ℃; for 15h; Sealed tube;

Reference yield:

3,6-dibromopyridazine (17973-86-3) + sodium methylate (124-41-4) → 3-metossi-6-bromopiridazina (17321-29-8)

Guidance literature:

With methanol;

DOI:10.1002/hlca.19540370115

Reference yield:

→ 3-metossi-6-bromopiridazina (17321-29-8)

Guidance literature:

3.6-Dibrom-pyridazin in Me., NaH in Me., (Siedetemp., 24 Std.);

upstream raw materials:

3,6-dibromopyridazine

sodium methylate

methanol

Downstream raw materials:

3-{3-tert-butylsulfanyl-5-hydroxy-1-[4-(6-methoxy-pyridazin-3-yl)-benzyl]-1H-indol-2-yl}-2,2-dimethyl-propionic acid ethyl ester

Refernces

• 1、 -. "5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS HIV REVERSE TRANSCRIPTASE INHIBITORS". Page/Page column 234. . Retrieved 2014/05/07.