3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide

Base Information

Chemical Name:3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide
CAS No.:105577-05-7
Molecular Formula:C16H12ClNOS
Molecular Weight:301.796
Hs Code.:
DSSTox Substance ID:DTXSID70361130
Nikkaji Number:J2.936.323D
Wikidata:Q82143284
Mol file:105577-05-7.mol

Synonyms:3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide;105577-05-7;SCHEMBL14305722;DTXSID70361130;benzo[b]thiophene-2-carboxamide,3-chloro-n-methyl-n-phenyl-;STL071262;AKOS000498149;AE-848/36288041;Z56864221;N-Methyl-N-phenyl-3-chlorobenzo[b]thiophene-2-carboxamide

Suppliers and Price of 3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide

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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price

Aronis compounds
3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide
5mg
$ 15.00

Total 0 raw suppliers

Chemical Property of 3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide

Chemical Property:

PSA：48.55000
LogP:4.83130
XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:301.0328129
Heavy Atom Count:20
Complexity:358

Purity/Quality:: 3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C1=CC=CC=C1)C(=O)C2=C(C3=CC=CC=C3S2)Cl

Technology Process of 3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide

There total 3 articles about 3-chloro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide 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: 70.0%

: 105577-05-7
3-chlorobenzo[b]thiophene-2-(N-methyl-N-phenyl)carboxamide

Guidance literature:: With sodium hydride; In 1,4-dioxane; at 20 ℃; for 0.25h;

In 1,4-dioxane; at 55 ℃; for 2h;

Reference yield: 68.0%

: 21815-91-8
3-chlorobenzo[b]thiophen-2-carbonyl chloride

: 121-44-8
triethylamine

: 100-61-8
N-methylaniline

: 554-68-7
triethylamine hydrochloride

: 105577-05-7
3-chlorobenzo[b]thiophene-2-(N-methyl-N-phenyl)carboxamide

Guidance literature:: With dmap; In dichloromethane; at 5 - 20 ℃;
DOI:10.1021/ol102932y

Reference yield:

: 621-82-9
Cinnamic acid

: 105577-05-7
3-chlorobenzo[b]thiophene-2-(N-methyl-N-phenyl)carboxamide

Guidance literature:: Multi-step reaction with 2 steps

1: thionyl chloride / Heating

2: dmap / dichloromethane / 5 - 20 °C

With dmap; thionyl chloride; In dichloromethane;
DOI:10.1021/ol102932y