2-(Azetidin-1-yl)-5-bromopyrimidine

Base Information

• Chemical Name: 2-(Azetidin-1-yl)-5-bromopyrimidine
• CAS No.: 850349-22-3
• Molecular Formula: C₇H₈BrN₃
• Molecular Weight: 214.065
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40590096
• Wikidata: Q82483764
• Mol file: 850349-22-3.mol

Synonyms:850349-22-3;2-(azetidin-1-yl)-5-bromopyrimidine;2-Azetidin-1-yl-5-bromopyrimidine;2-Azetidin-1-yl-5-bromo-pyrimidine;2-(1-Azetidinyl)-5-bromopyrimidine;MFCD08706083;SCHEMBL3323407;DTXSID40590096;OOQMJOASAODMEW-UHFFFAOYSA-N;CS-D1639;AKOS008228580;DS-0313;FS-2738;SB52169;2-(Azetidin-1-yl)-5-bromo-pyrimidine;SY024039;DB-076213;J-508094

Chemical Property of 2-(Azetidin-1-yl)-5-bromopyrimidine

Chemical Property:

• Vapor Pressure: 0.000141mmHg at 25°C
• Refractive Index: 1.627
• Boiling Point: 333ºC at 760 mmHg
• PKA: 2.44±0.42(Predicted)
• Flash Point: 155.2ºC
• PSA: 29.02000
• Density: 1.661g/cm3
• LogP: 1.51420
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 212.99016
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

97% ^*data from raw suppliers

2-Azetidin-1-yl-5-bromo-pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C1)C2=NC=C(C=N2)Br

Technology Process of 2-(Azetidin-1-yl)-5-bromopyrimidine

There total 1 articles about 2-(Azetidin-1-yl)-5-bromopyrimidine 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: 93.0%

azetidine (503-29-7) + 5-Bromo-2-chloropyrimidine (32779-36-5) → 2-(azetidin-1-yl)-5-bromo-pyrimidine (850349-22-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 50 ℃; for 12h;

upstream raw materials:

azetidine

5-Bromo-2-chloropyrimidine