2,4-Diamino-5-(3,5-dimethoxybenzyl)pyrimidine

Base Information

• Chemical Name: 2,4-Diamino-5-(3,5-dimethoxybenzyl)pyrimidine
• CAS No.: 20344-69-8
• Molecular Formula: C13H16 N4 O2
• Molecular Weight: 260.296
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID80174253
• Nikkaji Number: J360.447K
• Wikidata: Q83044319
• ChEMBL ID: CHEMBL287241
• Mol file: 20344-69-8.mol

Synonyms:20344-69-8;2,4-Diamino-5-(3,5-dimethoxybenzyl)pyrimidine;5-[(3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine;2,4-Pyrimidinediamine, 5-((3,5-dimethoxyphenyl)methyl)-;5-((3,5-Dimethoxyphenyl)methyl)-2,4-pyrimidinediamine;CHEMBL287241;2,4-Pyrimidinediamine, 5-[(3,5-dimethoxyphenyl)methyl]-;2,4-Diamino-5-[3,5-dimethoxybenzyl]pyrimidine;SCHEMBL10488885;DTXSID80174253;BDBM50405965;LS-134999;A4515

Chemical Property of 2,4-Diamino-5-(3,5-dimethoxybenzyl)pyrimidine

Chemical Property:

• Vapor Pressure: 3.43E-11mmHg at 25°C
• Boiling Point: 526.9°Cat760mmHg
• Flash Point: 272.4°C
• PSA: 97.74000
• Density: 1.252g/cm³
• LogP: 1.10920
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 260.12732577
• Heavy Atom Count: 19
• Complexity: 267

Purity/Quality:

99% ^*data from raw suppliers

5-[(3,5-DIMETHOXYPHENYL)METHYL]PYRIMIDINE-2,4-DIAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1)CC2=CN=C(N=C2N)N)OC

Technology Process of 2,4-Diamino-5-(3,5-dimethoxybenzyl)pyrimidine

There total 3 articles about 2,4-Diamino-5-(3,5-dimethoxybenzyl)pyrimidine 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: 10.2%

guanidine hydrochloride (50-01-1) + (Z)-3-(3,5-Dimethoxy-phenyl)-2-methoxymethyl-acrylonitrile (77113-74-7) → 5-(3,5-dimethoxy-benzyl)-pyrimidine-2,4-diamine (20344-69-8)

Guidance literature:

With sodium methylate; for 48h; Heating;

DOI:10.1021/jm00137a012

Reference yield:

3,5-dimethoxybenzaldehdye (7311-34-4) → 5-(3,5-dimethoxy-benzyl)-pyrimidine-2,4-diamine (20344-69-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 57 percent / NaOCH₃ / methanol / 7 h / Heating

2: 10.2 percent / NaOCH₃ / 48 h / Heating

With sodium methylate; In methanol;

DOI:10.1021/jm00137a012

Reference yield:

→ 5-(3,5-dimethoxy-benzyl)-pyrimidine-2,4-diamine (20344-69-8)

Guidance literature:

2-Amino-4-hydroxy-5-(3,5-dimethoxy-benzyl)-pyrimidin, 1. Chlorierung, 2. NH3;

upstream raw materials:

guanidine hydrochloride

(Z)-3-(3,5-Dimethoxy-phenyl)-2-methoxymethyl-acrylonitrile

3,5-dimethoxybenzaldehdye

Downstream raw materials:

α-(2,4-diamino-5-pyrimidyl)-5-methoxy-m-cresol

5-(2,4-Diamino-pyrimidin-5-ylmethyl)-benzene-1,3-diol