2-Amino-5-benzyl-4-hydroxypyrimidine

Base Information

• Chemical Name: 2-Amino-5-benzyl-4-hydroxypyrimidine
• CAS No.: 873409-32-6
• Molecular Formula: C11H11 N3 O
• Molecular Weight: 201.22454
• DSSTox Substance ID: DTXSID60606587
• Nikkaji Number: J2.870.872F
• Wikidata: Q82505394
• Mol file: 873409-32-6.mol

Synonyms:2-Amino-5-benzyl-4-hydroxypyrimidine;873409-32-6;2-amino-5-benzyl-1H-pyrimidin-6-one;2-amino-5-(phenylmethyl)-1H-pyrimidin-6-one;SCHEMBL11542383;DTXSID60606587;MFCD09877849;2-Amino-5-benzylpyrimidin-4(3H)-one;SB58549;2-azanyl-5-(phenylmethyl)-1H-pyrimidin-6-one;A842098

Chemical Property of 2-Amino-5-benzyl-4-hydroxypyrimidine

Chemical Property:

• Refractive Index: 1.65
• PSA: 72.03000
• Density: 1.28g/cm³
• LogP: 1.93640
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 201.090211983
• Heavy Atom Count: 15
• Complexity: 314

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-5-benzyl-4-hydroxypyrimidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=CN=C(NC2=O)N

Technology Process of 2-Amino-5-benzyl-4-hydroxypyrimidine

There total 3 articles about 2-Amino-5-benzyl-4-hydroxypyrimidine 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%

6-benzyl-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-7(4H)-one (1247016-07-4) → 2-amino-5-benzylpyrimidin-4(3H)-one (873409-32-6)

Guidance literature:

6-benzyl-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-7(4H)-one; With acetic acid; zinc; at 80 ℃; for 2h;

With sodium hydrogencarbonate; In water; at 20 ℃;

DOI:10.1002/ejoc.201000586

Reference yield: 89.0%

2-azido-5-benzylpyrimidin-4(3H)-one (1247015-99-1) → 2-amino-5-benzylpyrimidin-4(3H)-one (873409-32-6)

Guidance literature:

2-azido-5-benzylpyrimidin-4(3H)-one; With acetic acid; zinc; at 80 ℃; for 2h;

With sodium hydrogencarbonate; In water; at 20 ℃;

DOI:10.1002/ejoc.201000586

Reference yield:

ethyl 2-formyl-3-phenylpropionate (98516-80-4,2016-00-4) + guanidine hydrochloride (50-01-1) → 2-amino-5-benzylpyrimidin-4(3H)-one (873409-32-6)

Guidance literature:

upstream raw materials:

ethyl 2-formyl-3-phenylpropionate

guanidine hydrochloride

2-azido-5-benzylpyrimidin-4(3H)-one

6-benzyl-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-7(4H)-one

Downstream raw materials:

2,4-diamino-5-benzylpyrimidine

5-benzyl-4-chloro-pyrimidin-2-ylamine

5-(4-Nitro-benzyl)-pyrimidine-2,4-diamine