5-[(3-Phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine

Base Information

Chemical Name:5-[(3-Phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
CAS No.:69945-60-4
Molecular Formula:C18H18N4O
Molecular Weight:306.367
Hs Code.:
DSSTox Substance ID:DTXSID50445523
Nikkaji Number:J360.480B
Pharos Ligand ID:3KDMQHJ6T8UC
ChEMBL ID:CHEMBL274031

Synonyms:CHEMBL274031;5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine;69945-60-4;DTXSID50445523;BDBM50081909;2,4-Diamino-5-[3-benzyloxybenzyl]pyrimidine;5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine;5-(3-Benzyloxy-benzyl)-pyrimidine-2,4-diamine

Suppliers and Price of 5-[(3-Phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 5-[(3-Phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:306.14806121
Heavy Atom Count:23
Complexity:348

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)COC2=CC=CC(=C2)CC3=CN=C(N=C3N)N

Technology Process of 5-[(3-Phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine

There total 5 articles about 5-[(3-Phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine 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: 41.0%

: 77113-55-4
2,4-diamino-5-(3-hydroxybenzyl)pyrimidine

: 620-05-3
iodomethylbenzene

: 69945-60-4
5-(3-benzyloxy-benzyl)-pyrimidine-2,4-diamine

Guidance literature:: With potassium hydroxide; In ethanol; for 0.5h; Heating;
DOI:10.1021/jm981130+

Reference yield:

: 34716-73-9
3-(tetrahydro-2H-2-pyranyloxy)benzaldehyde

: 69945-60-4
5-(3-benzyloxy-benzyl)-pyrimidine-2,4-diamine

Guidance literature:: Multi-step reaction with 4 steps

1.1: 54 percent / NaOEt / ethanol / 3 h / Heating

2.1: NaOEt / ethanol / 0.08 h / 20 °C

2.2: 45 percent / 24 h / Heating

3.1: 99 percent / aq. HCl / methanol / 24 h / 20 °C

4.1: 41 percent / KOH / ethanol / 0.5 h / Heating

With hydrogenchloride; potassium hydroxide; sodium ethanolate; In methanol; ethanol; 1.1: Condensation / 2.1: Metallation / 2.2: cyclocondensation / 3.1: deprotection / 4.1: Alkylation;
DOI:10.1021/jm981130+

Reference yield:

: 100-83-4
meta-hydroxybenzaldehyde

: 69945-60-4
5-(3-benzyloxy-benzyl)-pyrimidine-2,4-diamine

Guidance literature:: Multi-step reaction with 5 steps

1.1: 66 percent / p-TsOH*H₂O / CH₂Cl₂ / 2 h / 0 °C

2.1: 54 percent / NaOEt / ethanol / 3 h / Heating

3.1: NaOEt / ethanol / 0.08 h / 20 °C

3.2: 45 percent / 24 h / Heating

4.1: 99 percent / aq. HCl / methanol / 24 h / 20 °C

5.1: 41 percent / KOH / ethanol / 0.5 h / Heating

With hydrogenchloride; potassium hydroxide; sodium ethanolate; toluene-4-sulfonic acid; In methanol; ethanol; dichloromethane; 1.1: protection / 2.1: Condensation / 3.1: Metallation / 3.2: cyclocondensation / 4.1: deprotection / 5.1: Alkylation;
DOI:10.1021/jm981130+