6-amino-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-dimethylpyrimidine-2,4-dione

Base Information

• Chemical Name: 6-amino-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-dimethylpyrimidine-2,4-dione
• CAS No.: 93599-95-2
• Molecular Formula: C16H17 N3 O4
• Molecular Weight: 315.3239
• NSC Number: 358310
• DSSTox Substance ID: DTXSID40421710
• Wikidata: Q82233315

Synonyms:MLS003171151;93599-95-2;NSC358310;DTXSID40421710;NSC-358310

Chemical Property of 6-amino-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-dimethylpyrimidine-2,4-dione

Chemical Property:

• Vapor Pressure: 1.04E-08mmHg at 25°C
• Boiling Point: 461.9°C at 760 mmHg
• Flash Point: 233.1°C
• Density: 1.3g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 315.12190603
• Heavy Atom Count: 23
• Complexity: 574

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=C(C(=O)N(C1=O)C)C(=O)C=CC2=CC=C(C=C2)OC)N
• Isomeric SMILES: CN1C(=C(C(=O)N(C1=O)C)C(=O)/C=C/C2=CC=C(C=C2)OC)N

Technology Process of 6-amino-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-dimethylpyrimidine-2,4-dione

There total 2 articles about 6-amino-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-dimethylpyrimidine-2,4-dione 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: 93.0%

6-Amino-1,3-dimethylbarbituric acid (6642-31-5) + (E)-3-(4-methoxyphenyl)propenoyl chloride (34446-64-5,42996-84-9) → 1,3-dimethyl-5-(4-methoxycinnamoyl)-6-aminouracil (93599-95-2)

Guidance literature:

With pyridine; for 2h; Heating;

DOI:10.1021/jm00382a020

Reference yield: 79.0%

6-Amino-1,3-dimethylbarbituric acid (6642-31-5) + p-methoxycinnamoyl chloride (42996-84-9,34446-64-5) → 1,3-Dimethyl-5-(4'-methoxycinnamoyl)-6-aminouracil (93599-95-2)

Guidance literature:

With pyridine; for 2h; Heating;

upstream raw materials:

6-Amino-1,3-dimethylbarbituric acid

p-methoxycinnamoyl chloride

(E)-3-(4-methoxyphenyl)propenoyl chloride

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