1-Methylethyl 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxybenzoate

Base Information

• Chemical Name: 1-Methylethyl 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxybenzoate
• CAS No.: 55687-46-2
• Molecular Formula: C17H22N4O4
• Molecular Weight: 346.381
• DSSTox Substance ID: DTXSID10878212
• Nikkaji Number: J1.575.078B
• Wikidata: Q82860191

Synonyms:55687-46-2;BRN 0845443;1-Methylethyl 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxybenzoate;Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, 1-methylethyl ester;SCHEMBL11860191;DTXSID10878212;24NH2PYRIMIDN,5(35MEO-4CO2IPR)BENZYL

Chemical Property of 1-Methylethyl 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxybenzoate

Chemical Property:

• Vapor Pressure: 2.15E-14mmHg at 25°C
• Boiling Point: 600.8°Cat760mmHg
• Flash Point: 317.2°C
• Density: 1.24g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 346.16410520
• Heavy Atom Count: 25
• Complexity: 423

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)OC(=O)C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC

Technology Process of 1-Methylethyl 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxybenzoate

There total 8 articles about 1-Methylethyl 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxybenzoate 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: 53.0%

isopropyl alcohol (67-63-0,8013-70-5) + methyl α-(2,4-diamino-5-pyrimidinyl)-2,6-dimethoxy-p-toluate (55687-40-6) → 4-(2,4-diamino-pyrimidin-5-ylmethyl)-2,6-dimethoxy-benzoic acid isopropyl ester (55687-46-2)

Guidance literature:

With sodium; In ethanol; for 48h; Heating;

Reference yield:

methyl α-(2,4-diamino-5-pyrimidinyl)-2,6-dimethoxy-p-toluate (55687-40-6) → 4-(2,4-diamino-pyrimidin-5-ylmethyl)-2,6-dimethoxy-benzoic acid isopropyl ester (55687-46-2)

Guidance literature:

In water; dimethyl sulfoxide; isopropyl alcohol;

Reference yield:

α-(2,4-diamino-5-pyrimidinyl)-2,6-dimethoxy-p-toluoylbenzoic acid methyl ester → 4-(2,4-diamino-pyrimidin-5-ylmethyl)-2,6-dimethoxy-benzoic acid isopropyl ester (55687-46-2)

Guidance literature:

In isopropyl alcohol;

upstream raw materials:

isopropyl alcohol

methyl α-(2,4-diamino-5-pyrimidinyl)-2,6-dimethoxy-p-toluate

3,5-dimethoxy-4-(methoxycarbonyl)benzaldehyde

dimethyl 2,6-dimethoxyterephthalate

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