Ethyl 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Base Information

Chemical Name:Ethyl 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CAS No.:40106-16-9
Molecular Formula:C13H19NO2S
Molecular Weight:253.36
Hs Code.:2934999090
DSSTox Substance ID:DTXSID30387351
Nikkaji Number:J2.449.906E
Wikidata:Q82181474
Mol file:40106-16-9.mol

Synonyms:ethyl 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate;40106-16-9;ethyl 2-amino-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxylate;Ethyl 2-amino-4,5,6,7,8,9-hexahydrocycloocta-[b]thiophene-3-carboxylate;CBMicro_017914;Oprea1_366946;SCHEMBL4090734;DTXSID30387351;BBL016131;CCG-14258;MFCD01993615;STK348712;AKOS000304320;VS-05159;BIM-0017902.P001;CS-0298880;EN300-761232;SR-01000228654;SR-01000228654-1;2-Amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester

Suppliers and Price of Ethyl 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

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
Ethyl2-Amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
100mg
$ 45.00

Matrix Scientific
Ethyl 2-amino-4,5,6,7,8,9-hexahydrocycloocta-[b]thiophene-3-carboxylate
500mg
$ 189.00

Crysdot
Ethyl2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate 95+%
5g
$ 594.00

Chemenu
ethyl2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate 95%
5g
$ 276.00

American Custom Chemicals Corporation
ETHYL 2-AMINO-4,5,6,7,8,9-HEXAHYDROCYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE 95.00%
5G
$ 1016.40

American Custom Chemicals Corporation
ETHYL 2-AMINO-4,5,6,7,8,9-HEXAHYDROCYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE 95.00%
1G
$ 664.13

Total 7 raw suppliers

Chemical Property of Ethyl 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Chemical Property:

Vapor Pressure:1.17E-07mmHg at 25°C
Boiling Point:431.8°C at 760 mmHg
Flash Point:214.9°C
PSA：80.56000
Density:1.162g/cm³
LogP:3.74720
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:253.11365002
Heavy Atom Count:17
Complexity:272

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl2-Amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(SC2=C1CCCCCC2)N

Technology Process of Ethyl 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

There total 5 articles about Ethyl 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate 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: 77.0%

: 502-49-8
cycloactanone

: 105-56-6
ethyl 2-cyanoacetate

: 40106-16-9
ethyl 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Guidance literature:: With sulfur; In ethanol; Reflux;
DOI:10.1039/c2cc37070k

Reference yield:

: 33018-58-5
ethyl 2-cyano-2-cyclooctanylideneacetate

: 40106-16-9
ethyl 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Guidance literature:: With morpholine; sulfur; In ethanol; at 60 ℃; for 6h;
DOI:10.1016/j.bmcl.2011.04.080

Reference yield:

: 502-49-8
cycloactanone

: 40106-16-9
ethyl 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: ammonium acetate / toluene / 0.75 h / 150 °C / Microwave irradiation

2: morpholine; sulfur / ethanol / 6 h / 60 °C

With morpholine; sulfur; ammonium acetate; In ethanol; toluene; 1: Knoevenagel condensation;
DOI:10.1016/j.bmcl.2011.04.080