5-((3,5-Dimethoxy-4-(1-methylethenyl)phenyl)methyl)-2,4-pyrimidinediamine

Base Information

• Chemical Name: 5-((3,5-Dimethoxy-4-(1-methylethenyl)phenyl)methyl)-2,4-pyrimidinediamine
• CAS No.: 69194-91-8
• Molecular Formula: C16H20N4O2
• Molecular Weight: 300.36
• Wikidata: Q76386493

Synonyms:BRN 4265998;2,4-Pyrimidinediamine, 5-((3,5-dimethoxy-4-(1-methylethenyl)phenyl)methyl)-;5-((3,5-Dimethoxy-4-(1-methylethenyl)phenyl)methyl)-2,4-pyrimidinediamine;LS-134993

Chemical Property of 5-((3,5-Dimethoxy-4-(1-methylethenyl)phenyl)methyl)-2,4-pyrimidinediamine

Chemical Property:

• Vapor Pressure: 1.2E-12mmHg at 25°C
• Boiling Point: 561.7°Cat760mmHg
• Flash Point: 293.5°C
• Density: 1.207g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 300.15862589
• Heavy Atom Count: 22
• Complexity: 352

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC
• Isomeric SMILES: C/C=C/C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC

Technology Process of 5-((3,5-Dimethoxy-4-(1-methylethenyl)phenyl)methyl)-2,4-pyrimidinediamine

There total 9 articles about 5-((3,5-Dimethoxy-4-(1-methylethenyl)phenyl)methyl)-2,4-pyrimidinediamine 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: 83.0%

guanidine hydrochloride (50-01-1) + (Z)-2-(4-Isopropenyl-3,5-dimethoxy-benzyl)-3-phenylamino-acrylonitrile (69194-95-2) → 2,4-diamino-5-(4-isopropenyl-3,5-dimethoxybenzyl)-pyrimidine (69194-91-8)

Guidance literature:

With sodium methylate; In ethanol; for 40h; Heating;

Reference yield:

guanidine hydrogen carbonate (124-46-9,20734-13-8,100224-74-6,593-85-1,90332-86-8,3425-08-9) + 4-isopropenyl-3,5-dimethoxy-α-(morpholinomethylene)-dihydrocinnamic acid nitrile (69194-94-1) → 2,4-diamino-5-(4-isopropenyl-3,5-dimethoxybenzyl)-pyrimidine (69194-91-8)

Guidance literature:

In ice-water; dimethyl sulfoxide;

Reference yield:

2,6-diamino-4-chloro-5-(3,5-dimethoxy-4-isopropenylbenzyl)-pyrimidine + mercury (II) chloride (7487-94-7) + zinc (7440-66-6) → 2,4-diamino-5-(4-isopropenyl-3,5-dimethoxybenzyl)-pyrimidine (69194-91-8)

Guidance literature:

In water; acetic acid;

upstream raw materials:

guanidine hydrochloride

(Z)-2-(4-Isopropenyl-3,5-dimethoxy-benzyl)-3-phenylamino-acrylonitrile

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

dimethyl 2,6-dimethoxyterephthalate

Downstream raw materials:

5-(4-Isopropyl-3,5-dimethoxy-benzyl)-pyrimidine-2,4-diamine

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