Ethyl (3aS-(3aalpha,4beta,6aalpha))-hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-valerate

Base Information

Chemical Name:Ethyl (3aS-(3aalpha,4beta,6aalpha))-hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-valerate
CAS No.:87573-52-2
Molecular Formula:C12H20 N2 O3 S
Molecular Weight:272.368
Hs Code.:
European Community (EC) Number:289-323-8
DSSTox Substance ID:DTXSID60236469
Nikkaji Number:J334.005H
Wikidata:Q83118440
Mol file:87573-52-2.mol

Synonyms:87573-52-2;Ethyl (3aS-(3aalpha,4beta,6aalpha))-hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-valerate;EINECS 289-323-8;Ethyl 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate;ethyl 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate;SCHEMBL1934693;DTXSID60236469;DB-187441

Suppliers and Price of Ethyl (3aS-(3aalpha,4beta,6aalpha))-hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-valerate

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

Total 4 raw suppliers

Chemical Property of Ethyl (3aS-(3aalpha,4beta,6aalpha))-hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-valerate

Chemical Property:

PSA：96.22000
LogP:1.24410
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:272.11946368
Heavy Atom Count:18
Complexity:324

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CCCCC1C2C(CS1)NC(=O)N2
Isomeric SMILES:CCOC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2

Technology Process of Ethyl (3aS-(3aalpha,4beta,6aalpha))-hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-valerate

There total 1 articles about Ethyl (3aS-(3aalpha,4beta,6aalpha))-hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-valerate 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: 100.0%

: 64-17-5
ethanol

: 58-85-5,22879-79-4
biotin

: 87573-52-2
5-[(3aS,4S,6aR)-2-oxo-hexahydro-thieno[3,4-d]imidazol-4-yl]-pentanoic acid ethyl ester

Guidance literature:: With sulfuric acid;
DOI:10.1039/c8cc05425h

Reference yield:

: 87573-52-2
5-[(3aS,4S,6aR)-2-oxo-hexahydro-thieno[3,4-d]imidazol-4-yl]-pentanoic acid ethyl ester

: 69705-14-2
5-((3a5,45,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentyl 4-methylbenzenesulfonate

Guidance literature:: Multi-step reaction with 2 steps

1: 96 percent / diisobutylaluminum hydride / CH₂Cl₂ / 1.83 h / -78 - 20 °C

2: 94 percent / pyridine

With pyridine; diisobutylaluminium hydride; In dichloromethane;
DOI:10.1021/ol060458r

Reference yield:

: 87573-52-2
5-[(3aS,4S,6aR)-2-oxo-hexahydro-thieno[3,4-d]imidazol-4-yl]-pentanoic acid ethyl ester

: 304439-23-4
(3aS,4S,6aR)-4-(5-bromo-pentyl)tetrahydrothieno[3,4-d]imidazol-2-one

Guidance literature:: Multi-step reaction with 3 steps

1: 96 percent / diisobutylaluminum hydride / CH₂Cl₂ / 1.83 h / -78 - 20 °C

2: 94 percent / pyridine

3: 89 percent / LiBr / butan-2-one / 2 h / Heating

With pyridine; diisobutylaluminium hydride; lithium bromide; In dichloromethane; butanone;
DOI:10.1021/ol060458r