Propan-2-yl 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate

Base Information

• Chemical Name: Propan-2-yl 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate
• CAS No.: 5573-19-3
• Molecular Formula: C₃₆H₅₄O₆
• Molecular Weight: 582.821
• DSSTox Substance ID: DTXSID00386139
• Nikkaji Number: J2.026.302D
• Pharos Ligand ID: PPUAM9RQUVBU
• ChEMBL ID: CHEMBL2398396

Synonyms:propan-2-yl 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate;5573-19-3;CHEMBL2398396;CBMicro_049145;DTXSID00386139;BDBM50226760;BIM-0049114.P001;SR-01000214084;SR-01000214084-1;2-(Methylthio)-4-(3-nitrophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid isopropyl ester

Chemical Property of Propan-2-yl 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate

Chemical Property:

• Vapor Pressure: 3.6E-09mmHg at 25°C
• Boiling Point: 474.5°C at 760 mmHg
• Flash Point: 240.8°C
• Density: 1.32g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 349.10962727
• Heavy Atom Count: 24
• Complexity: 568

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(N=C(N1)SC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C

Technology Process of Propan-2-yl 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate

There total 2 articles about Propan-2-yl 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-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:

longispinogenin triacetate (1721-61-5) → 3β,16β,28-Triacetoxy-olean-11,13(18)-dien (5573-19-3)

Guidance literature:

With selenium(IV) oxide; acetic acid;

DOI:10.1021/ja01645a010 DOI:10.1016/S0040-4020(01)92301-4

Reference yield:

→ Saikogenin C-triacetat (5573-19-3,16796-64-8)

Guidance literature:

Saikogenin C;

upstream raw materials:

longispinogenin triacetate

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