2,4-Pyrimidinediamine, 5-((3,5-dimethoxy-4-(1-methylethyl)phenyl)methyl)-

Base Information

• Chemical Name: 2,4-Pyrimidinediamine, 5-((3,5-dimethoxy-4-(1-methylethyl)phenyl)methyl)-
• CAS No.: 74731-66-1
• Molecular Formula: C₁₆H₂₂N₄O₂
• Molecular Weight: 302.376
• DSSTox Substance ID: DTXSID00225716
• Nikkaji Number: J1.586.789B
• Wikidata: Q83104824
• Mol file: 74731-66-1.mol

Synonyms:BRN 6070014;2,4-Pyrimidinediamine, 5-((3,5-dimethoxy-4-(1-methylethyl)phenyl)methyl)-;74731-66-1;5-((3,5-Dimethoxy-4-(1-methylethyl)phenyl)methyl)-2,4-pyrimidinediamine;5-[[3,5-Dimethoxy-4-(1-methylethyl)phenyl]methyl]-2,4-pyrimidinediamine;DTXSID00225716;LS-134994

Chemical Property of 2,4-Pyrimidinediamine, 5-((3,5-dimethoxy-4-(1-methylethyl)phenyl)methyl)-

Chemical Property:

• Vapor Pressure: 1.98E-12mmHg at 25°C
• Boiling Point: 556.7°Cat760mmHg
• Flash Point: 290.5°C
• Density: 1.172g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 302.17427596
• Heavy Atom Count: 22
• Complexity: 328

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC

Technology Process of 2,4-Pyrimidinediamine, 5-((3,5-dimethoxy-4-(1-methylethyl)phenyl)methyl)-

There total 8 articles about 2,4-Pyrimidinediamine, 5-((3,5-dimethoxy-4-(1-methylethyl)phenyl)methyl)- 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: 86.0%

2,4-diamino-5-(4-isopropenyl-3,5-dimethoxybenzyl)-pyrimidine (69194-91-8) → 5-(4-Isopropyl-3,5-dimethoxy-benzyl)-pyrimidine-2,4-diamine (74731-66-1)

Guidance literature:

Reference yield:

3,5-dimethoxy-4-(methoxycarbonyl)benzaldehyde (33187-98-3) → 5-(4-Isopropyl-3,5-dimethoxy-benzyl)-pyrimidine-2,4-diamine (74731-66-1)

Guidance literature:

Multi-step reaction with 7 steps

1: conc. HCl / ethanol / 2 h / Heating

2: diethyl ether / 3 h / Heating

3: H+

4: 81 percent / sodium methylate / dimethylformamide / 0.25 h / 75 °C

5: 83 percent / propan-2-ol / 0.5 h / Heating

6: 83 percent / sodium methylate / ethanol / 40 h / Heating

7: 86 percent

With hydrogenchloride; sodium methylate; hydrogen cation; In diethyl ether; ethanol; N,N-dimethyl-formamide; isopropyl alcohol;

Reference yield:

dimethyl 2,6-dimethoxyterephthalate (16849-68-6) → 5-(4-Isopropyl-3,5-dimethoxy-benzyl)-pyrimidine-2,4-diamine (74731-66-1)

Guidance literature:

Multi-step reaction with 8 steps

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

2: conc. HCl / ethanol / 2 h / Heating

3: diethyl ether / 3 h / Heating

4: H+

5: 81 percent / sodium methylate / dimethylformamide / 0.25 h / 75 °C

6: 83 percent / propan-2-ol / 0.5 h / Heating

7: 83 percent / sodium methylate / ethanol / 40 h / Heating

8: 86 percent

With morpholine; hydrogenchloride; sodium methylate; hydrogen cation; sodium bis(2-methoxyethoxy)aluminium dihydride; In diethyl ether; ethanol; N,N-dimethyl-formamide; isopropyl alcohol; toluene;

upstream raw materials:

2,4-diamino-5-(4-isopropenyl-3,5-dimethoxybenzyl)-pyrimidine

3,5-dimethoxy-4-(methoxycarbonyl)benzaldehyde

dimethyl 2,6-dimethoxyterephthalate

methyl 2,6-dimethoxy-4-(α,α-diethoxymethyl)benzoate