(3-Chloro-6-methyl-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone

Base Information

Chemical Name:(3-Chloro-6-methyl-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
CAS No.:5974-84-5
Molecular Formula:C15H17ClN2OS
Molecular Weight:308.8263
Hs Code.:
DSSTox Substance ID:DTXSID00387045
Wikidata:Q82180944

Synonyms:5974-84-5;(3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone;AK-968/12265117;CBMicro_039282;Oprea1_079938;DTXSID00387045;GEUCALDSDPODDG-UHFFFAOYSA-N;3-chloro-6-methylbenzo[b]thiophen-2-yl 4-methylpiperazinyl ketone;STK418133;AKOS003272193;BIM-0039143.P001;SR-01000224648;SR-01000224648-1;(3-chloro-6-methyl-1-benzothiophen-2-yl)(4-methylpiperazin-1-yl)methanone;1-[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]-4-methylpiperazine

Suppliers and Price of (3-Chloro-6-methyl-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 0 raw suppliers

Chemical Property of (3-Chloro-6-methyl-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone

Chemical Property:

Vapor Pressure:3.19E-09mmHg at 25°C
Boiling Point:475.9°C at 760 mmHg
Flash Point:241.6°C
Density:1.3g/cm³
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:308.0750120
Heavy Atom Count:20
Complexity:373

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CCN(CC3)C)Cl

Technology Process of (3-Chloro-6-methyl-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone

There total 7 articles about (3-Chloro-6-methyl-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone 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: 79.0%

: 627-27-0
homoalylic alcohol

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 7160-77-2
1-oxaspiro[5.5]undec-3-ene

: 5974-84-5
1-Oxaspiro<5.5>undec-4-ene

Guidance literature:: With indium(III) triflate; In dichloromethane; at 20 ℃; for 14.5h; Inert atmosphere;
DOI:10.1016/j.tet.2011.05.019

Reference yield: 67.0%

: 5974-83-4
1-Oxaspiro<5.5>undecan-5-ol

: 5974-84-5
1-Oxaspiro<5.5>undec-4-ene

Guidance literature:: With pyridine; trichlorophosphate; for 0.333333h; Ambient temperature;
DOI:10.1055/s-1991-26608

Reference yield:

: 36169-67-2
1-(2-furyl)-1-cyclohexanol

: 5974-84-5
1-Oxaspiro<5.5>undec-4-ene

Guidance literature:: Multi-step reaction with 5 steps

1: 79 percent / 3-chloroperbenzoic acid / CH₂Cl₂ / 3 h / Ambient temperature

2: 83 percent / triethylamine / CH₂Cl₂ / 2 h / Ambient temperature

3: 59 percent / hydrogen / 10 percent Pd-C / ethyl acetate / 3 h / 750.06 Torr / Ambient temperature

4: 98 percent / LiAlH₄ / diethyl ether / 1.67 h / Ambient temperature

5: 67 percent / POCl₃, pyridine / 0.33 h / Ambient temperature

With pyridine; lithium aluminium tetrahydride; hydrogen; triethylamine; 3-chloro-benzenecarboperoxoic acid; trichlorophosphate; palladium on activated charcoal; In diethyl ether; dichloromethane; ethyl acetate;
DOI:10.1055/s-1991-26608