5-Bromo-2-(pyrrolidin-1-yl)pyrimidine

Base Information

• Chemical Name: 5-Bromo-2-(pyrrolidin-1-yl)pyrimidine
• CAS No.: 446286-61-9
• Molecular Formula: C8H10BrN3
• Molecular Weight: 228.091
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70425084
• Wikidata: Q82237840
• Mol file: 446286-61-9.mol

Synonyms:5-Bromo-2-(pyrrolidin-1-yl)pyrimidine;446286-61-9;5-Bromo-2-pyrrolidinopyrimidine;5-bromo-2-pyrrolidin-1-ylpyrimidine;ChemDiv3_009394;SCHEMBL1433020;DTXSID70425084;AKQGPROZPHKDMD-UHFFFAOYSA-N;HMS1499K22;BCP10244;MFCD00483243;2-(n-pyrrolidinyl)-5-bromopyrimidine;AKOS000266554;AB06303;PS-6092;IDI1_027304;AM803921;A7084;CS-0037027;FT-0714868;5-Bromo-2-(pyrrolidin-1-yl)pyrimidine, 98%;EN300-3552011;(4-OXO-4H-QUINAZOLIN-3-YL)-ACETICACIDMETHYLESTER;Z729554432

Chemical Property of 5-Bromo-2-(pyrrolidin-1-yl)pyrimidine

Chemical Property:

• Boiling Point: 345.0±34.0 °C(Predicted)
• PKA: 2.44±0.42(Predicted)
• PSA: 29.02000
• Density: 1.555±0.06 g/cm3(Predicted)
• LogP: 1.90430
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 227.00581
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

98%min ^*data from raw suppliers

5-Bromo-2-pyrrolidinopyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C2=NC=C(C=N2)Br

Technology Process of 5-Bromo-2-(pyrrolidin-1-yl)pyrimidine

There total 1 articles about 5-Bromo-2-(pyrrolidin-1-yl)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: 88.0%

pyrrolidine (123-75-1) + 5-Bromo-2-chloropyrimidine (32779-36-5) → 5-bromo-2-(pyrrolidin-1-yl)pyrimidine (446286-61-9)

Guidance literature:

With potassium carbonate; In acetonitrile; at 80 ℃; for 16h; Inert atmosphere;

DOI:10.1021/jacs.0c06904

Reference yield: 91.0%

5-bromo-2-(pyrrolidin-1-yl)pyrimidine (446286-61-9) + 4-(N-Boc-6-cyanoindol-2-yl)phenylboronic acid pinacol ester (1449248-93-4) → C28H27N5O2 (1620067-30-2)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; water; at 75 ℃; for 6h; Inert atmosphere;

DOI:10.1016/j.bmcl.2014.05.094

Reference yield: 4.0%

5-bromo-2-(pyrrolidin-1-yl)pyrimidine (446286-61-9) + 2-(5-chloro-2,4-dimethoxyphenyl)-7-(piperazin-1-yl)imidazo[1,2-a]pyridine → 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-(2-(pyrrolidin-1-yl)pyrimidin-5-yl)piperazin-1-yl)imidazo[1,2-a]pyridine

Guidance literature:

With potassium tert-butylate; palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In 1,4-dioxane; at 100 - 110 ℃; for 16h; Inert atmosphere;

upstream raw materials:

pyrrolidine

5-Bromo-2-chloropyrimidine

Downstream raw materials:

C₂₈H₂₇N₅O₂

Refernces