Aditoprim

Base Information

• Chemical Name: Aditoprim
• CAS No.: 56066-63-8
• Molecular Formula: C15H21 N5 O2
• Molecular Weight: 303.364
• UNII: 2Z81WDX2ZH
• DSSTox Substance ID: DTXSID90204616
• Nikkaji Number: J360.442J
• Wikipedia: Aditoprim
• Wikidata: Q15633946
• NCI Thesaurus Code: C72651
• ChEMBL ID: CHEMBL293299
• Mol file: 56066-63-8.mol

Synonyms:2,4-diamino-5-(4-(dimethylamino)-3,5-dimethoxybenzyl)pyrimidine;aditoprim

Chemical Property of Aditoprim

Chemical Property:

• Vapor Pressure: 2.8E-10mmHg at 25°C
• Boiling Point: 503.9°C at 760 mmHg
• PKA: 7.08±0.10(Predicted)
• Flash Point: 258.5°C
• Density: 1.233g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 303.16952493
• Heavy Atom Count: 22
• Complexity: 330

Purity/Quality:

99% ^*data from raw suppliers

5-[(4-DIMETHYLAMINO-3,5-DIMETHOXY-PHENYL)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: CN(C)C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC

Technology Process of Aditoprim

There total 3 articles about Aditoprim 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: 86.7%

α-(methoxymethyl)-β-(4-dimethylamino-3,5-dimethoxyphenyl)acrylonitrile + guanidine nitrate (506-93-4) → aditoprim (56066-63-8)

Guidance literature:

guanidine nitrate; With sodium methylate; In 2-methoxy-ethanol; at 120 ℃; for 0.5h; Reflux;

α-(methoxymethyl)-β-(4-dimethylamino-3,5-dimethoxyphenyl)acrylonitrile; In 2-methoxy-ethanol; Temperature; Reflux;

Reference yield:

α-(anilino-methylene)-4-(dimethylamino)-3,5-dimethoxy-hydrocinnamic acid nitrile (56066-62-7) + guanidine hydrogen carbonate (124-46-9,20734-13-8,100224-74-6,593-85-1,90332-86-8,3425-08-9) → aditoprim (56066-63-8)

Guidance literature:

With sodium; In water;

Reference yield:

→ aditoprim (56066-63-8)

Guidance literature:

entspr. 'Zimts.-nitril', Guanidin;

upstream raw materials:

α-(anilino-methylene)-4-(dimethylamino)-3,5-dimethoxy-hydrocinnamic acid nitrile

guanidine hydrogen carbonate

guanidine nitrate

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