4-Amino-2-methoxypyrimidine

Base Information

• Chemical Name: 4-Amino-2-methoxypyrimidine
• CAS No.: 3289-47-2
• Molecular Formula: C5H7N3O
• Molecular Weight: 125.13
• Hs Code.: 29335990
• European Community (EC) Number: 640-936-2
• DSSTox Substance ID: DTXSID30186543
• Nikkaji Number: J80.681A
• Wikidata: Q27139147
• Metabolomics Workbench ID: 38516
• Mol file: 3289-47-2.mol

Synonyms:4-amino-2-methoxypyrimidine;O(2)MedC;O-2-methylcytosine

Chemical Property of 4-Amino-2-methoxypyrimidine

Chemical Property:

• Melting Point: 174 °C
• Boiling Point: 294.4 °C at 760 mmHg
• PKA: 4.97±0.10(Predicted)
• Flash Point: 131.9 °C
• PSA: 61.03000
• Density: 1.224 g/cm³
• LogP: 0.64860
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 125.058911855
• Heavy Atom Count: 9
• Complexity: 88.3

Purity/Quality:

99% ^*data from raw suppliers

4-Amino-2-methoxypyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36-36/37/38-20/21/22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=NC=CC(=N1)N

Technology Process of 4-Amino-2-methoxypyrimidine

There total 12 articles about 4-Amino-2-methoxypyrimidine 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: 65.0%

methanol (67-56-1) + N4-benzoyl-2',3'-O-(triphenylphosphoranediyl)-O2,5'-cyclocytidine (77772-57-7) → 4-amino-2-methoxypyrimidine (3289-47-2)

Guidance literature:

for 5h; Heating;

DOI:10.1246/bcsj.53.3670

Reference yield: 50.0%

2-chloropyrimidin-4-amine (7461-50-9) → 4-amino-2-methoxypyrimidine (3289-47-2)

Guidance literature:

With sodium methylate; In methanol;

Reference yield:

2,6-Dichloropyrimidine (3934-20-1) → 4-amino-2-methoxypyrimidine (3289-47-2) + 4-methoxypyrimidin-2-amine (155-90-8)

Guidance literature:

With ammonia; water; Erwaermen des Reaktionsprodukts mit methanol.Natriummethylat;

DOI:10.1021/ja01366a051 DOI:10.1021/ja01316a061

upstream raw materials:

2,6-Dichloropyrimidine

methanol

N⁴-benzoyl-2',3'-O-(triphenylphosphoranediyl)-O²,5'-cyclocytidine

sodium methylate

Downstream raw materials:

N-(2-methoxypyrimidin-4-yl)benzamide

N-(2-methoxypyrimidin-4-yl)-2-methyl-5-(2-(trifluoromethyl)phenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-Methoxy-4-hydroxypyrimidin

4-chloro-2-methoxy-pyrimidine

Refernces

• 1、 -. "Peptide deformylase inhibitors". Page/Page column. . Retrieved 2014/12/09.
• 2、 Xu, Chunyan,Cheng, Chuanjie,Liu, Hongtao,Liu, Bo. "Highly efficient, chemoselective syntheses of 2-methoxy-4-substituted pyrimidines". scheme or table. p. 545 - 548. Retrieved 2012/06/01.