Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride

Base Information

Chemical Name:Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride
CAS No.:55687-75-7
Molecular Formula:C16H21ClN4O5S
Molecular Weight:416.8797
Hs Code.:
DSSTox Substance ID:DTXSID10204214

Synonyms:4'-((2,4-Diamino-5-(pyrimidinyl)methyl)-2',6'-dimethoxy-2-methylsulfonyl)acetophenone HCl;Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride;55687-75-7;C16H20N4O5S.ClH;SCHEMBL11851215;DTXSID10204214;C16-H20-N4-O5-S.Cl-H;LS-67305

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

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Chemical Property of Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride

Chemical Property:

Vapor Pressure:2.07E-22mmHg at 25°C
Boiling Point:750.6°C at 760 mmHg
Flash Point:407.7°C
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:416.0921187
Heavy Atom Count:27
Complexity:568

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=CC(=CC(=C1C(=O)CS(=O)(=O)C)OC)CC2=CN=C(N=C2N)N.Cl

Technology Process of Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride

There total 5 articles about Ethanone, 1-(4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenyl)-2-(methylsulfonyl)-, monohydrochloride 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:

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

: 55687-75-7
4'-<(2,4-diamino-5-pyrimidinyl)methyl>-2',6'-dimethoxy-2-methylsulfonyl acetophenone hydrochloride

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: 1.) sodium hydride / 1.) DMF, 45 min, 65 deg C; 2.) THF-DMF, 60 deg C, 20 min

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

Reference yield:

: 16849-68-6
dimethyl 2,6-dimethoxyterephthalate

: 55687-75-7
4'-<(2,4-diamino-5-pyrimidinyl)methyl>-2',6'-dimethoxy-2-methylsulfonyl acetophenone hydrochloride

Guidance literature:: Multi-step reaction with 5 steps

1: 95 percent / sodium bis(2-methoxyethoxy)aluminum hyride, morpholine / toluene / 4 h / -15 °C

2: 81 percent / sodium methylate / dimethylformamide / 0.25 h / 75 °C

3: 95 percent / propan-2-ol / 0.5 h / Heating

4: 86 percent / sodium methylate / ethanol / 40 h / Heating

5: 1.) sodium hydride / 1.) DMF, 45 min, 65 deg C; 2.) THF-DMF, 60 deg C, 20 min

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

Reference yield:

: 55687-39-3
methyl 4-(3-anilino-2-cyanoallyl)-2,6-dimethoxybenzoate

: 55687-75-7
4'-<(2,4-diamino-5-pyrimidinyl)methyl>-2',6'-dimethoxy-2-methylsulfonyl acetophenone hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: 86 percent / sodium methylate / ethanol / 40 h / Heating

2: 1.) sodium hydride / 1.) DMF, 45 min, 65 deg C; 2.) THF-DMF, 60 deg C, 20 min

With sodium methylate; sodium hydride; In ethanol;