5-(2-Hydroxypropyl)-5-phenylbarbituric acid

Base Information

• Chemical Name: 5-(2-Hydroxypropyl)-5-phenylbarbituric acid
• CAS No.: 25860-53-1
• Molecular Formula: C₁₃H₁₄N₂O₄
• Molecular Weight: 262.265
• NSC Number: 280799
• Nikkaji Number: J105.670K
• Mol file: 25860-53-1.mol

Synonyms:25860-53-1;5-(2-Hydroxypropyl)-5-phenylbarbituric acid;NSC 280799;BRN 0283795;Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-;Acide 5-phenyl-5-hydroxypropylbarbiturique [French];NSC280799;Acide 5-phenyl-5-hydroxypropylbarbiturique;Kwas 5-fenylo-5-(beta-hydroksy-propylo)-barbiturowy [Polish];Kwas 5-fenylo-5-(beta-hydroksy-propylo)-barbiturowy;NSC-280799

Chemical Property of 5-(2-Hydroxypropyl)-5-phenylbarbituric acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.294g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 262.09535693
• Heavy Atom Count: 19
• Complexity: 381

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2)O

Technology Process of 5-(2-Hydroxypropyl)-5-phenylbarbituric acid

There total 4 articles about 5-(2-Hydroxypropyl)-5-phenylbarbituric 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: 59.8%

5-allyl-5-phenylbarbituric acid (115-43-5) → 5-Phenyl-5-(2-hydroxypropyl)barbitursaeure (25860-53-1)

Guidance literature:

With sulfuric acid; water;

Reference yield:

cyano-allyl-phenyl-acetic acid ethyl ester (66205-43-4) → 5-Phenyl-5-(2-hydroxypropyl)barbitursaeure (25860-53-1)

Guidance literature:

Multi-step reaction with 3 steps

2: acid

3: 59.8 percent / H₂O, cc. H₂SO₄

With sulfuric acid; water;

Reference yield:

5-Phenyl-5-allyl-2,4-diimino-barbitursaeure → 5-Phenyl-5-(2-hydroxypropyl)barbitursaeure (25860-53-1)

Guidance literature:

Multi-step reaction with 2 steps

1: acid

2: 59.8 percent / H₂O, cc. H₂SO₄

With sulfuric acid; water;

upstream raw materials:

5-allyl-5-phenylbarbituric acid

cyano-allyl-phenyl-acetic acid ethyl ester

Downstream raw materials:

5-Phenyl-5-(2-brompropyl)barbitursaeure

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