5-Phenyl-5-propylbarbituric acid

Base Information

• Chemical Name: 5-Phenyl-5-propylbarbituric acid
• CAS No.: 56410-95-8
• Molecular Formula: C₁₃H₁₄N₂O₃
• Molecular Weight: 246.266
• Mol file: 56410-95-8.mol

Synonyms:BARBITURIC ACID,5-PHENYL-5-PROPYL;5-Phenyl-5-propyl-barbitursaeure;5-Phenyl-5-propylbarbituric acid;

Chemical Property of 5-Phenyl-5-propylbarbituric acid

Chemical Property:

• Melting Point: 192 °C
• Boiling Point: °Cat760mmHg
• PKA: 7.58±0.10(Predicted)
• Flash Point: °C
• PSA: 82.25000
• Density: 1.202g/cm³
• LogP: 1.64230

Purity/Quality:

5-PHENYL-5-PROPYLBARBITURIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-Phenyl-5-propylbarbituric acid

There total 1 articles about 5-Phenyl-5-propylbarbituric acid 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:

phenyl-propyl-malonic acid diethyl ester (19846-06-1) + urea (57-13-6) → 5-phenyl-5-propyl-barbituric acid (56410-95-8)

Guidance literature:

With sodium ethanolate;

Reference yield: 86.0%

5-phenyl-5-propyl-barbituric acid (56410-95-8) + 3-dimethylamino-2,2-dimethyl-2H-azirine (54856-83-6) → 2-<5'-(Dimethylamino)-4',4'-dimethyl-4'H-imidazol-2'-yl>-2-phenylpentanamid (132660-04-9)

Guidance literature:

In isopropyl alcohol;

DOI:10.1002/hlca.19900730824

Reference yield:

5-phenyl-5-propyl-barbituric acid (56410-95-8) → (S)-5-phenyl-5-propyl-1-(propionyloxymethyl)barbital (138548-40-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaH / 1.) DMF, 0 deg C, 1 h, 2.) DMF, RT, 1 h

2: diisopropyl ether; H₂O / 9 h / Ambient temperature; lipase CE from Humicola lanuginosa

With sodium hydride; In di-isopropyl ether; water;

DOI:10.1248/cpb.40.2605

upstream raw materials:

phenyl-propyl-malonic acid diethyl ester

urea

Downstream raw materials:

1-Methyl-5-phenyl-5-propylbarbitursaeure

1,3-bis(propionyloxymethyl)-5-phenyl-5-propylbarbital

2-<5'-(Dimethylamino)-4',4'-dimethyl-4'H-imidazol-2'-yl>-2-phenylpentanamid

(R)-5-phenyl-5-propyl-1-(propionyloxymethyl)barbital