Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester

Base Information

Chemical Name:Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester
CAS No.:55687-47-3
Molecular Formula:C18H24N4O4
Molecular Weight:360.4076
Hs Code.:
DSSTox Substance ID:DTXSID00204208

Synonyms:BRN 0853571;55687-47-3;Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester;Butyl 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxybenzoate;Butyl 4-((2,4-diaminopyrimidin-5-yl)methyl)-2,6-dimethoxybenzoate;SCHEMBL11855143;DTXSID00204208;LS-36748

Suppliers and Price of Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester

Chemical Property:

Vapor Pressure:5.93E-15mmHg at 25°C
Boiling Point:612.8°Cat760mmHg
Flash Point:324.4°C
Density:1.22g/cm³
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:360.17975526
Heavy Atom Count:26
Complexity:425

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester

There total 7 articles about Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester 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: 61.0%

: 55687-40-6
methyl α-(2,4-diamino-5-pyrimidinyl)-2,6-dimethoxy-p-toluate

: 71-36-3
butan-1-ol

: 55687-47-3
4-(2,4-diamino-pyrimidin-5-ylmethyl)-2,6-dimethoxy-benzoic acid butyl ester

Guidance literature:: With sodium; In ethanol; for 48h; Heating;

Reference yield:

: 55687-40-6
methyl α-(2,4-diamino-5-pyrimidinyl)-2,6-dimethoxy-p-toluate

: 55687-47-3
4-(2,4-diamino-pyrimidin-5-ylmethyl)-2,6-dimethoxy-benzoic acid butyl ester

Guidance literature:

Reference yield:

: 33187-98-3
3,5-dimethoxy-4-(methoxycarbonyl)benzaldehyde

: 55687-47-3
4-(2,4-diamino-pyrimidin-5-ylmethyl)-2,6-dimethoxy-benzoic acid butyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 81 percent / sodium methylate / dimethylformamide / 0.25 h / 75 °C

2: 95 percent / propan-2-ol / 0.5 h / Heating

3: 86 percent / sodium methylate / ethanol / 40 h / Heating

4: 61 percent / sodium / ethanol / 48 h / Heating

With sodium methylate; sodium; In ethanol; N,N-dimethyl-formamide; isopropyl alcohol;