4-(5-Butylpyrimidin-2-yl)benzamide

Base Information

• Chemical Name: 4-(5-Butylpyrimidin-2-yl)benzamide
• CAS No.: 59855-02-6
• Molecular Formula: C15H17N3O
• Molecular Weight: 255.31500
• DSSTox Substance ID: DTXSID90553732
• Wikidata: Q82434399
• Mol file: 59855-02-6.mol

Synonyms:4-(5-Butylpyrimidin-2-yl)benzamide;59855-02-6;DTXSID90553732

Chemical Property of 4-(5-Butylpyrimidin-2-yl)benzamide

Chemical Property:

• PSA: 68.87000
• LogP: 3.28540
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 255.137162174
• Heavy Atom Count: 19
• Complexity: 279

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)N

Technology Process of 4-(5-Butylpyrimidin-2-yl)benzamide

There total 1 articles about 4-(5-Butylpyrimidin-2-yl)benzamide 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:

1,1-dimethoxyhexane (1599-47-9) + 4-carbamoylbenzamidine hydrochloride (59855-11-7) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-(5-butyl-pyrimidin-2-yl)-benzamide (59855-02-6)

Guidance literature:

With triethylamine; trichlorophosphate; Multistep reaction;

DOI:10.1039/a808275h

Reference yield:

4-(5-butyl-pyrimidin-2-yl)-benzamide (59855-02-6) → m-terphenyl-4,4''-diyl bis<4-(5-butylpyrimidin-2-yl)benzoate>

Guidance literature:

Multi-step reaction with 2 steps

1: aq. H₂SO₄, AcOH / 12 h / Heating

2: 30.1 percent / DCC, 4-(dimethylamino)pyridine / CH₂Cl₂ / 12 h / Ambient temperature

With dmap; sulfuric acid; acetic acid; dicyclohexyl-carbodiimide; In dichloromethane;

DOI:10.1039/a808275h

Reference yield:

4-(5-butyl-pyrimidin-2-yl)-benzamide (59855-02-6) → 4-(5-butylpyrimidin-2-yl)benzoic acid (104582-36-7)

Guidance literature:

With sulfuric acid; acetic acid; for 12h; Yield given; Heating;

DOI:10.1039/a808275h

upstream raw materials:

1,1-dimethoxyhexane

4-carbamoylbenzamidine hydrochloride

N,N-dimethyl-formamide

Downstream raw materials:

4-(5-butylpyrimidin-2-yl)benzoic acid