5-[(2,4-Diaminopyrimidin-5-yl)methyl]-2-methoxyphenol

Base Information

• Chemical Name: 5-[(2,4-Diaminopyrimidin-5-yl)methyl]-2-methoxyphenol
• CAS No.: 83166-76-1
• Molecular Formula: C12H14N4O2
• Molecular Weight: 0
• ChEMBL ID: CHEMBL301089
• DSSTox Substance ID: DTXSID90876817
• Nikkaji Number: J360.456J
• Wikidata: Q82858507
• Mol file: 83166-76-1.mol

Synonyms:CHEMBL301089;83166-76-1;SCHEMBL9657245;DTXSID90876817;BDBM50405991;2,4-NH2PYRIMIDINE,5(3-OH-4MEO)BENZYL

Chemical Property of 5-[(2,4-Diaminopyrimidin-5-yl)methyl]-2-methoxyphenol

Chemical Property:

• Melting Point: 208 - 210 °C
• PSA: 107.28000
• LogP: 2.10840
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 246.11167570
• Heavy Atom Count: 18
• Complexity: 267

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)O

Technology Process of 5-[(2,4-Diaminopyrimidin-5-yl)methyl]-2-methoxyphenol

There total 1 articles about 5-[(2,4-Diaminopyrimidin-5-yl)methyl]-2-methoxyphenol 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:

2,4-diamino-5-(3-benzyloxy-4-methoxybenzyl)-pyrimidine (78233-99-5) + pyrographite (7440-44-0) + palladium (7440-05-3) → 2,4-diamino-5-(3-hydroxy-4-methoxybenzyl)-pyrimidine (83166-76-1)

Guidance literature:

With hydrogenchloride; ammonia; In ethyleneglycol monomethylether; water;

Reference yield: 91.0%

(4-bromomethyl-phenyl)-(4-nitro-phenyl)-sulfone (100398-04-7) + 2,4-diamino-5-(3-hydroxy-4-methoxybenzyl)-pyrimidine (83166-76-1) → 5-{4-Methoxy-3-[4-(4-nitro-benzenesulfonyl)-benzyloxy]-benzyl}-pyrimidine-2,4-diamine (111452-96-1)

Guidance literature:

With sodium methylate; In 2-methoxy-ethanol; Ambient temperature;

DOI:10.1016/0223-5234(92)90007-N

Reference yield: 61.0%

2,4-diamino-5-(3-hydroxy-4-methoxybenzyl)-pyrimidine (83166-76-1) + 4--4'-nitrodiphenylsulphone (111453-08-8) → 5-(4-Methoxy-3-{3-[4-(4-nitro-benzenesulfonyl)-phenylamino]-propoxy}-benzyl)-pyrimidine-2,4-diamine (111452-86-9)

Guidance literature:

With sodium methylate; In 2-methoxy-ethanol; Ambient temperature;

DOI:10.1016/0223-5234(92)90007-N

upstream raw materials:

2,4-diamino-5-(3-benzyloxy-4-methoxybenzyl)-pyrimidine

pyrographite

palladium

Downstream raw materials:

5-{4-Methoxy-3-[4-(4-nitro-benzenesulfonyl)-benzyloxy]-benzyl}-pyrimidine-2,4-diamine

5-(4-Methoxy-3-{2-[4-(4-nitro-benzenesulfonyl)-phenylamino]-ethoxy}-benzyl)-pyrimidine-2,4-diamine

5-(4-Methoxy-3-{3-[4-(4-nitro-benzenesulfonyl)-phenylamino]-propoxy}-benzyl)-pyrimidine-2,4-diamine

5-{3-[4-(4-Amino-benzenesulfonyl)-benzyloxy]-4-methoxy-benzyl}-pyrimidine-2,4-diamine

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