butyl 4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Base Information

• Chemical Name: butyl 4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
• CAS No.: 5605-18-5
• Molecular Formula: C₁₉H₁₆NO₂*Cl
• Molecular Weight: 325.795
• DSSTox Substance ID: DTXSID60386190

Synonyms:5605-18-5;CBMicro_025620;DTXSID60386190;CCG-12754;STK363198;AKOS000637656;butyl 4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate;BIM-0025688.P001;SR-01000403462;SR-01000403462-1;butyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Chemical Property of butyl 4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Chemical Property:

• Vapor Pressure: 4.66E-09mmHg at 25°C
• Boiling Point: 471.4°Cat760mmHg
• Flash Point: 238.9°C
• Density: 1.19g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 347.16674822
• Heavy Atom Count: 24
• Complexity: 497

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)N(C)C)C

Technology Process of butyl 4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

There total 3 articles about butyl 4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-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:

phenylmagnesium bromide → 3,5-dimethyl-1-oxo-3-phenyl-1,3-dihydro-furo[3,4-c]quinolinium; chloride (5605-18-5)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Et₂O, (ii) aq. HCl

2: (i), (ii) aq. NaCl

DOI:10.1007/BF00905506

Reference yield:

1-(3-acetyl-quinoline-4-carbonyl)-piperidine (966-18-7) → 3,5-dimethyl-1-oxo-3-phenyl-1,3-dihydro-furo[3,4-c]quinolinium; chloride (5605-18-5)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Et₂O, (ii) aq. HCl

2: (i), (ii) aq. NaCl

DOI:10.1007/BF00905506

Reference yield:

dimethyl sulfate (77-78-1) + 3-methyl-3-phenyl-3H-furo[3,4-c]quinolin-1-one (5605-16-3) → 3,5-dimethyl-1-oxo-3-phenyl-1,3-dihydro-furo[3,4-c]quinolinium; chloride (5605-18-5)

Guidance literature:

Multistep reaction; (i), (ii) aq. NaCl;

DOI:10.1007/BF00905506

upstream raw materials:

dimethyl sulfate

3-methyl-3-phenyl-3H-furo[3,4-c]quinolin-1-one

1-(3-acetyl-quinoline-4-carbonyl)-piperidine

Downstream raw materials:

3,5-dimethyl-3-phenyl-3,5-dihydro-furo[3,4-c]quinoline-1,4-dione

4-hydroxy-3,5-dimethyl-3-phenyl-4,5-dihydro-3H-furo[3,4-c]quinolin-1-one

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