Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-

Base Information

Chemical Name:Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-
CAS No.:55687-58-6
Molecular Formula:C14H15N5O2
Molecular Weight:285.3012
Hs Code.:
DSSTox Substance ID:DTXSID90204212
Nikkaji Number:J1.575.089H
Wikidata:Q83077663

Synonyms:55687-58-6;Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-;4-((2,4-Diaminopyrimidin-5-yl)methyl)-2,6-dimethoxybenzonitrile;BRN 0835609;alpha-(2,4-Diamino-5-pyrimidinyl)-2,6-dimethoxy-p-tolunitrile;4-((2,4-Diamino-5-pyrimidinyl)methyl)-2,6-dimethoxybenzonitrile;SCHEMBL11854838;DTXSID90204212

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Supply Marketing:

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

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Chemical Property of Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-

Chemical Property:

Vapor Pressure:1.11E-15mmHg at 25°C
Boiling Point:628°Cat760mmHg
Flash Point:333.6°C
Density:1.34g/cm³
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:285.12257474
Heavy Atom Count:21
Complexity:371

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=CC(=C1C#N)OC)CC2=CN=C(N=C2N)N

Technology Process of Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-

There total 9 articles about Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy- 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: 55.0%

: 55687-57-5
4-(2,4-diamino-pyrimidin-5-ylmethyl)-2,6-dimethoxy-benzamide

: 55687-58-6
α-(2,4-diamino-5-pyrimidinyl)-2,6-dimethoxy-p-tolunitrile

Guidance literature:: With trichlorophosphate; In pyridine; at 20 - 30 ℃; for 3h;

Reference yield:

: 16849-70-0
4-methyl hydrogen 2,6-dimethoxyterephthalate

: 55687-58-6
α-(2,4-diamino-5-pyrimidinyl)-2,6-dimethoxy-p-tolunitrile

Guidance literature:: Multi-step reaction with 7 steps

1: thionyl chloride / dimethylformamide / benzene / 2 h / Heating

2: 72 percent / ammonia / CHCl₃ / 1 h / Ambient temperature

3: 69 percent / sodium bis(2-methoxyethoxy)aluminum hyride, morpholine / toluene / 4 h / -15 °C

4: 73 percent / sodium methylate / dimethylformamide / 0.25 h / 75 °C

5: 59 percent / propan-2-ol / 0.5 h / Heating

6: 73 percent / sodium methylate / ethanol / 40 h / Heating

7: 55 percent / phosphorus oxychloride / pyridine / 3 h / 20 - 30 °C

With morpholine; thionyl chloride; ammonia; sodium methylate; sodium bis(2-methoxyethoxy)aluminium dihydride; trichlorophosphate; dimethylformamide; In pyridine; ethanol; chloroform; N,N-dimethyl-formamide; isopropyl alcohol; toluene; benzene;

Reference yield:

: 55687-60-0
methyl 3,5-dimethoxyterephthalamate

: 55687-58-6
α-(2,4-diamino-5-pyrimidinyl)-2,6-dimethoxy-p-tolunitrile

Guidance literature:: Multi-step reaction with 5 steps

1: 69 percent / sodium bis(2-methoxyethoxy)aluminum hyride, morpholine / toluene / 4 h / -15 °C

2: 73 percent / sodium methylate / dimethylformamide / 0.25 h / 75 °C

3: 59 percent / propan-2-ol / 0.5 h / Heating

4: 73 percent / sodium methylate / ethanol / 40 h / Heating

5: 55 percent / phosphorus oxychloride / pyridine / 3 h / 20 - 30 °C

With morpholine; sodium methylate; sodium bis(2-methoxyethoxy)aluminium dihydride; trichlorophosphate; In pyridine; ethanol; N,N-dimethyl-formamide; isopropyl alcohol; toluene;