2-Benzylamino-5-bromopyrimidine

Base Information

• Chemical Name: 2-Benzylamino-5-bromopyrimidine
• CAS No.: 38373-55-6
• Molecular Formula: C11H10BrN3
• Molecular Weight: 264.124
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID80408686
• Nikkaji Number: J1.759.710H
• Wikidata: Q82214252
• Mol file: 38373-55-6.mol

Synonyms:N-benzyl-5-bromopyrimidin-2-amine;38373-55-6;2-BENZYLAMINO-5-BROMOPYRIMIDINE;SCHEMBL1395088;DTXSID80408686;SEJMYSXXRMYOGT-UHFFFAOYSA-N;MFCD00483264;AKOS013188470;AB06312;BS-28283;CS-0193734;BENZYL-(5-BROMO-PYRIMIDIN-2-YL)-AMINE;E89471;SR-01000384003;SR-01000384003-1

Chemical Property of 2-Benzylamino-5-bromopyrimidine

Chemical Property:

• PSA: 41.04000
• LogP: 2.27310
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 263.00581
• Heavy Atom Count: 15
• Complexity: 175

Purity/Quality:

97% ^*data from raw suppliers

2-Benzylamino-5-bromopyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC2=NC=C(C=N2)Br

Technology Process of 2-Benzylamino-5-bromopyrimidine

There total 5 articles about 2-Benzylamino-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: 95.0%

5-Bromo-2-chloropyrimidine (32779-36-5) + benzylamine (100-46-9) → benzyl-(5-bromo-pyrimidin-2-yl)-amine (38373-55-6)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In isopropyl alcohol; at 160 ℃; for 0.5h; Irradiation;

DOI:10.1016/S0040-4039(02)01190-5

Reference yield:

benzylamine (100-46-9) + 5-fluoro-2-(trifluoromethyl)pyrimidine (62802-38-4) → benzyl-(5-bromo-pyrimidin-2-yl)-amine (38373-55-6)

Guidance literature:

With TEA; In N,N-dimethyl-formamide; at 85 ℃; for 1h;

DOI:10.1002/cmdc.202000438

Reference yield:

2-(benzylamino)pyrimidine (4214-59-9) → benzyl-(5-bromo-pyrimidin-2-yl)-amine (38373-55-6)

Guidance literature:

With hydrogen bromide; bromine;

upstream raw materials:

5-bromo-2-aminopyrimidine

benzaldehyde

2-(benzylamino)pyrimidine

5-Bromo-2-chloropyrimidine

Downstream raw materials:

N-(5-bromo-2-pyrimidinyl)-N-(phenylmethyl)-methansulfonamide

C₁₇H₂₂BN₃O₂

ethyl {5-[2-(benzylamino)pyrimidin-5-yl]-2H-tetrazol-2-yl}acetate

N-benzyl-5-(2H-tetrazol-5-yl)pyrimidin-2-amine