[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate

Base Information

• Chemical Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate
• CAS No.: 6610-35-1
• Molecular Formula: C17H23N3OS2
• Molecular Weight: 215.706
• DSSTox Substance ID: DTXSID80353526
• Wikidata: Q82131174
• ChEMBL ID: CHEMBL1449756

Synonyms:6610-35-1;1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazine-1-carbothioyl)sulfanyl-ethanone;Enamine_002175;[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate;Oprea1_136847;MLS001034552;CHEMBL1449756;DTXSID80353526;HMS1400C19;HMS2981C19;STK039922;AKOS001022506;SMR000664693;SR-01000479158;SR-01000479158-1;Z56815653;2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl 4-methyl-1-piperazinecarbodithioate;2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl 4-methylpiperazine-1-carbodithioate;2-OXO-2-(1,2,3,4-TETRAHYDROQUINOLIN-1-YL)ETHYL 4-METHYLPIPERAZINE-1-CARBODITHIOATE

Chemical Property of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate

Chemical Property:

• Vapor Pressure: 7.7E-12mmHg at 25°C
• Boiling Point: 542.7°C at 760 mmHg
• Flash Point: 282°C
• Density: 1.27g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 349.12825471
• Heavy Atom Count: 23
• Complexity: 438

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C(=S)SCC(=O)N2CCCC3=CC=CC=C32

Technology Process of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate

There total 6 articles about [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate 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: 99.0%

o-chlorobenzyl isothiocyanate (18967-44-7) → 4-<2-Chlor-benzyl>-thiosemicarbazid (6610-35-1)

Guidance literature:

With hydrazine hydrate; In diethyl ether; at 20 ℃; for 12h;

DOI:10.1016/j.ejmech.2018.08.007

Reference yield:

2-CHLOROBENZYLAMINE (89-97-4) → 4-<2-Chlor-benzyl>-thiosemicarbazid (6610-35-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine / methanol / 2.25 h / 20 - 30 °C

1.2: 2.33 h / -10 - 20 °C

2.1: hydrazine hydrate / ethanol / 2 h / Reflux

With hydrazine hydrate; triethylamine; In methanol; ethanol;

DOI:10.1016/j.bmc.2016.12.012

Reference yield:

(2-chloro-benzylthiocarbamoylsulfanyl)-acetic acid → 4-<2-Chlor-benzyl>-thiosemicarbazid (6610-35-1)

Guidance literature:

With sodium hydroxide; hydrazine hydrate; In water; for 2h; Heating;

DOI:10.1016/j.ejps.2005.02.014

upstream raw materials:

2-CHLOROBENZYLAMINE

(2-Chloro-benzyl)-dithiocarbamic acid methyl ester

o-chlorobenzyl isothiocyanate

Downstream raw materials:

C₁₈H₁₈ClN₃S

C₂₂H₂₁ClN₆O₃S

indole-3-carboxaldehyde N⁽⁴⁾-(2-chlorobenzyl)thiosemicarbazone

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