6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine

Base Information

• Chemical Name: 6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
• CAS No.: 216661-72-2
• Molecular Formula: C18H14 N4 O
• Molecular Weight: 302.33
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60416188
• Nikkaji Number: J1.798.124B
• Wikidata: Q82225380
• ChEMBL ID: CHEMBL329457
• Mol file: 216661-72-2.mol

Synonyms:216661-72-2;6-(4-methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine;6-(4-Methoxy-phenyl)-3-pyridin-3-yl-pyrazolo[1,5-a]pyrimidine;6-(4-methoxyphenyl)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine;MFCD08056197;pyrazolo[1,5-a]pyrimidine 2d;BDBM5421;CHEMBL329457;SCHEMBL7610653;DTXSID60416188;AKOS005256782;DS-13807;C74063;3-(3-Pyridyl)-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;6-(4-Methoxyphenyl)-3-pyridin-3-yl-pyrazolo[1,5-a]pyrimidine

Chemical Property of 6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine

Chemical Property:

• Refractive Index: 1.673
• Boiling Point: °Cat760mmHg
• PKA: 3.53±0.12(Predicted)
• Flash Point: °C
• PSA: 52.31000
• Density: 1.26g/cm³
• LogP: 3.46690
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 302.11676108
• Heavy Atom Count: 23
• Complexity: 385

Purity/Quality:

NLT 98% ^*data from raw suppliers

6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=CN=CC=C4)N=C2

Technology Process of 6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine

There total 4 articles about 6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine 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:

2-(4-methoxyphenyl)-3-malonaldehyde (53868-40-9) + 4-pyridin-3-yl-2H-pyrazol-3-ylamine (57999-07-2) → 3-(pyridin-3-yl)-6-(4-methoxyphenyl)-pyrazolo(1,5-A)pyrimidine (216661-72-2)

Guidance literature:

With acetic acid; In ethanol; Heating;

DOI:10.1016/S0960-894X(02)00525-5 DOI:10.1016/S0960-894X(02)00827-2

Reference yield:

(Z)-3-Dimethylamino-2-pyridin-3-yl-acrylonitrile (493038-84-9) → 3-(pyridin-3-yl)-6-(4-methoxyphenyl)-pyrazolo(1,5-A)pyrimidine (216661-72-2)

Guidance literature:

Multi-step reaction with 2 steps

1: N₂H₂*HCl / ethanol / Heating

2: AcOH / ethanol / Heating

With H₂N₂*ClH; acetic acid; In ethanol;

DOI:10.1016/S0960-894X(02)00525-5

Reference yield:

2-(4-methoxyphenyl)malondialdehyde (65192-28-1) + 4-pyridin-3-yl-2H-pyrazol-3-ylamine (57999-07-2) → 3-(pyridin-3-yl)-6-(4-methoxyphenyl)-pyrazolo(1,5-A)pyrimidine (216661-72-2)

Guidance literature:

In ethanol; acetic acid; at 110 ℃; for 6h;

DOI:10.1016/j.bmcl.2008.06.052

upstream raw materials:

2-(4-methoxyphenyl)-3-malonaldehyde

4-pyridin-3-yl-2H-pyrazol-3-ylamine

(Z)-3-Dimethylamino-2-pyridin-3-yl-acrylonitrile

2-(4-methoxyphenyl)malondialdehyde

Downstream raw materials:

4-(3-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-6-yl)-phenol