Methyl 2-(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoate

Base Information

• Chemical Name: Methyl 2-(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoate
• CAS No.: 129750-90-9
• Molecular Formula: C₂₀H₃₀N₂O₅
• Molecular Weight: 378.469
• DSSTox Substance ID: DTXSID30926481
• Mol file: 129750-90-9.mol

Synonyms:129750-90-9;methyl 2-(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoate;1,3-Dicyclohexyl-alpha,5-dimethyl-2,4,6-trioxohexahydro-5-pyrimidineacetic acid;Hexahydro-1,3-dicyclohexyl-alpha,5-dimethyl-2,4,6-trioxo-5-pyrimidineacetic acid;2-Methyl-2-(1,3-dicyclohexyl-2,4,6-trioxo-5-methylperhydropyrimidin-5-yl)acetic acid;5-Pyrimidineacetic acid, hexahydro-1,3-dicyclohexyl-alpha,5-dimethyl-2,4,6-trioxo-;1,3-Dicyclohexyl-alpha,5-dimethyl-2,4,6-trioxohexahydro-5-pyrimidineac etic acid;DTXSID30926481;QDYMUXMHMVGDEV-UHFFFAOYSA-N;LS-134590

Chemical Property of Methyl 2-(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoate

Chemical Property:

• Vapor Pressure: 2E-09mmHg at 25°C
• Boiling Point: 481.4°Cat760mmHg
• Flash Point: 244.9°C
• PSA: 83.99000
• Density: 1.219g/cm³
• LogP: 2.74370
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 378.21547206
• Heavy Atom Count: 27
• Complexity: 568

Purity/Quality:

1,3-DICYCLOHEXYL-ALPHA,5-DIMETHYL-2,4,6-TRIOXOHEXAHYDRO-5-PYRIMIDINEAC ETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1C(=O)N(C(=O)N(C1=O)C2CCCCC2)C3CCCCC3)C(=O)OC

Technology Process of Methyl 2-(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoate

There total 6 articles about Methyl 2-(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoate 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:

ethyl ester of 2-methyl-2-(1,3-dicyclohexyl-2,4,6-trioxo-perhydropyrimidin-5-yl) acetic acid (129750-86-3) → 2-methyl-2-(1,3-dicyclohexyl-2,4,6-trioxo-5-methyl-perihydropyrimidin-5-yl) acetic acid (129750-90-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 38 percent / ethanol / Heating

2: aq. NaOH / ethanol / 0.5 h / Heating

With sodium hydroxide; In ethanol;

DOI:10.1016/0223-5234(90)90029-3

Reference yield:

1,3-dicyclohexyl barbituric acid (35824-91-0) → 2-methyl-2-(1,3-dicyclohexyl-2,4,6-trioxo-5-methyl-perihydropyrimidin-5-yl) acetic acid (129750-90-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 73 percent / potassium carbonate / ethanol / 20 h / Heating

2: 38 percent / ethanol / Heating

3: aq. NaOH / ethanol / 0.5 h / Heating

With sodium hydroxide; potassium carbonate; In ethanol;

DOI:10.1016/0223-5234(90)90029-3

Reference yield:

ethyl ester of 2-methyl-2-(1,3-dicyclohexyl-2,4,6-trioxo-5-methyl-perihydropyrimidin-5-yl) acetic acid (129750-93-2) → 2-methyl-2-(1,3-dicyclohexyl-2,4,6-trioxo-5-methyl-perihydropyrimidin-5-yl) acetic acid (129750-90-9)

Guidance literature:

With sodium hydroxide; In ethanol; for 0.5h; Heating;

DOI:10.1016/0223-5234(90)90029-3

upstream raw materials:

ethyl ester of 2-methyl-2-(1,3-dicyclohexyl-2,4,6-trioxo-5-methyl-perihydropyrimidin-5-yl) acetic acid

ethyl ester of 2-methyl-2-(1,3-dicyclohexyl-2,4,6-trioxo-5-morpholinomethyl-perihydropyrimidin-5-yl) acetic acid

ethyl ester of 2-methyl-2-<1,3-dicyclohexyl-2,4,6-trioxo-5-(N-methyl-N-piperazinomethyl)-perihydropyrimidin-5-yl> acetic acid

ethyl ester of 2-methyl-2-(1,3-dicyclohexyl-2,4,6-trioxo-perhydropyrimidin-5-yl) acetic acid