2-phenoxyethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Base Information

• Chemical Name: 2-phenoxyethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• CAS No.: 5616-88-6
• Molecular Formula: C21H32 N2 O5
• Molecular Weight: 386.8289
• DSSTox Substance ID: DTXSID40386239

Synonyms:5616-88-6;CBMicro_026187;DTXSID40386239;STK402352;AKOS000657300;2-phenoxyethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate;BIM-0026110.P001;SR-01000417354;SR-01000417354-1;2-phenoxyethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Chemical Property of 2-phenoxyethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Chemical Property:

• Vapor Pressure: 7.67E-12mmHg at 25°C
• Boiling Point: 542.7°C at 760 mmHg
• Flash Point: 282°C
• Density: 1.276g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 386.1033348
• Heavy Atom Count: 27
• Complexity: 566

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Cl)C(=O)OCCOC3=CC=CC=C3

Technology Process of 2-phenoxyethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

There total 2 articles about 2-phenoxyethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate 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: 96.0%

N-(Benzyloxycarbonyl)sarcosine (39608-31-6) + N-Methyl-(S)-valin-tert-butylester (5616-87-5) → benzyloxycarbonylsarcosyl-N-methylvaline t-butyl ester (5616-88-6)

Guidance literature:

With dicyclohexyl-carbodiimide; In dichloromethane;

Reference yield:

N-methyl-L-valine (2480-23-1) → benzyloxycarbonylsarcosyl-N-methylvaline t-butyl ester (5616-88-6)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄

2: DCC

With sulfuric acid; dicyclohexyl-carbodiimide;

DOI:10.1021/jo01279a064

Reference yield: 90.0%

benzyloxycarbonylsarcosyl-N-methylvaline t-butyl ester (5616-88-6) → benzyloxycarbonylsarcosyl-N-methylvaline (73984-46-0)

Guidance literature:

With trifluoroacetic acid; at -5 ℃; for 3h;

upstream raw materials:

N-(Benzyloxycarbonyl)sarcosine

N-Methyl-(S)-valin-tert-butylester

N-methyl-L-valine

Downstream raw materials:

benzyloxycarbonylsarcosyl-N-methylvaline

(2-nitro-3-hydroxy-4-methylbenzoyl)treonyl-D-valylprolylsarcosyl-N-methylvaline(treonine hydroxyl) lactone

(3-hydroxy-4-methyl-2-nitrobenzoyl)-L-threonyl-D-valyl-L-prolyl-sarcosyl-N-methyl-L-valine lactone

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