(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)(4-chlorophenyl)methanone

Base Information

Chemical Name:(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)(4-chlorophenyl)methanone
CAS No.:40312-34-3
Molecular Formula:C15H14 Cl N O S
Molecular Weight:291.801
Hs Code.:2934999090
European Community (EC) Number:823-096-3
UNII:9Q765ZIF8L
DSSTox Substance ID:DTXSID20193322
Nikkaji Number:J1.385.108E
Wikidata:Q27272890
Metabolomics Workbench ID:153808
ChEMBL ID:CHEMBL57997
Mol file:40312-34-3.mol

Synonyms:2-amino-3-(4-chlorobenzoyl)-5,6,7,8-tetrahydrobenzothiophene;T62 cpd

Suppliers and Price of (2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)(4-chlorophenyl)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
Packaging
price

TRC
T62
10mg
$ 115.00

Sigma-Aldrich
T62 ≥98% (HPLC), crystalline
5mg
$ 106.00

ChemScene
AdenosineA1receptoractivatorT62 >98.0%
5mg
$ 390.00

American Custom Chemicals Corporation
T62 95.00%
2.5G
$ 1227.82

American Custom Chemicals Corporation
T62 95.00%
1G
$ 852.55

AK Scientific
T62
10mg
$ 160.00

Total 12 raw suppliers

Chemical Property of (2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)(4-chlorophenyl)methanone

Chemical Property:

Vapor Pressure:3.4E-11mmHg at 25°C
Refractive Index:1.658
Boiling Point:527°C at 760 mmHg
Flash Point:272.5°C
PSA：71.33000
Density:1.337g/cm³
LogP:4.67470
Storage Temp.:2-8°C
Solubility.:DMSO: ~20 mg/mL
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:291.0484629
Heavy Atom Count:19
Complexity:343

Purity/Quality:

97% ^*data from raw suppliers

T62 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1CCC2=C(C1)C(=C(S2)N)C(=O)C3=CC=C(C=C3)Cl
Recent ClinicalTrials:A Study to Determine if an Investigational Pain Medicine Provides Relief of Chronic Pain After a Shingles Outbreak
Uses T62 is an allosteric enhancer of A1 adenosine receptor. T62 is useful in the treatment of patients with neuropathic pain.

Technology Process of (2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)(4-chlorophenyl)methanone

There total 6 articles about (2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)(4-chlorophenyl)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: 90.0%

: 40312-34-3
(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)(4-chlorophenyl)methanone

Guidance literature:

Reference yield: 87.0%

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

: 4640-66-8
p-chlorobenzoylacetonitrile

: 40312-34-3
(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)(4-chlorophenyl)methanone

Guidance literature:: With pyrrolidine; sulfur; In N,N-dimethyl-formamide; at 50 ℃; for 0.5h; Microwave irradiation;
DOI:10.3987/COM-21-14513

Reference yield: 80.0%

: 880359-28-4
(2-amino-4,5,6,7-tetrahydro-benzo[b]thiophen-3-yl)-(4-chloro-3,5-diiodo-phenyl)-methanone

: 40312-34-3
(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)(4-chlorophenyl)methanone

Guidance literature:: With hydrogen; triethylamine; palladium on activated charcoal; In 1,4-dioxane; methanol; under 2585.74 Torr;
DOI:10.1016/j.bmcl.2005.11.037