4-(Hexylthio)-2-(4-methyl-1-piperazinyl)quinazoline fumarate

Base Information

• Chemical Name: 4-(Hexylthio)-2-(4-methyl-1-piperazinyl)quinazoline fumarate
• CAS No.: 129664-15-9
• Molecular Formula: C23H32N4O4S
• Molecular Weight: 460.5896

Synonyms:4-(Hexylthio)-2-(4-methyl-1-piperazinyl)quinazoline fumarate;Quinazoline, 4-(hexylthio)-2-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (1:1);129664-15-9;C19H28N4S.C4H4O4;C19-H28-N4-S.C4-H4-O4;LS-140178;(2Z)-but-2-enedioic acid;4-(hexylsulfanyl)-2-(4-methylpiperazin-1-yl)quinazoline

Chemical Property of 4-(Hexylthio)-2-(4-methyl-1-piperazinyl)quinazoline fumarate

Chemical Property:

• Vapor Pressure: 1.35E-10mmHg at 25°C
• Boiling Point: 512°Cat760mmHg
• Flash Point: 263.4°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 460.21442669
• Heavy Atom Count: 32
• Complexity: 478

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCSC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)C.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCCCCCSC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)C.C(=C/C(=O)O)\C(=O)O

Technology Process of 4-(Hexylthio)-2-(4-methyl-1-piperazinyl)quinazoline fumarate

There total 3 articles about 4-(Hexylthio)-2-(4-methyl-1-piperazinyl)quinazoline fumarate 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:

Hexanethiol (111-31-9) → 4-Hexylsulfanyl-2-(4-methyl-piperazin-1-yl)-quinazoline; compound with (E)-but-2-enedioic acid (129664-15-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / NaH / dimethylformamide

2: ethanol

With sodium hydride; In ethanol; N,N-dimethyl-formamide;

DOI:10.1248/cpb.38.1286

Reference yield:

4-Chloro-2-(4-methyl-1-piperazinyl)quinazoline (39213-06-4) → 4-Hexylsulfanyl-2-(4-methyl-piperazin-1-yl)-quinazoline; compound with (E)-but-2-enedioic acid (129664-15-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / NaH / dimethylformamide

2: ethanol

With sodium hydride; In ethanol; N,N-dimethyl-formamide;

DOI:10.1248/cpb.38.1286

Reference yield:

4-Hexylsulfanyl-2-(4-methyl-piperazin-1-yl)-quinazoline (129663-86-1) + (2E)-but-2-enedioic acid (110-17-8,26099-09-2) → 4-Hexylsulfanyl-2-(4-methyl-piperazin-1-yl)-quinazoline; compound with (E)-but-2-enedioic acid (129664-15-9)

Guidance literature:

In ethanol;

DOI:10.1248/cpb.38.1286

upstream raw materials:

4-Hexylsulfanyl-2-(4-methyl-piperazin-1-yl)-quinazoline

(2E)-but-2-enedioic acid

Hexanethiol

4-Chloro-2-(4-methyl-1-piperazinyl)quinazoline

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