2-[(3-Ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid

Base Information

Chemical Name:2-[(3-Ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid
CAS No.:59898-75-8
Molecular Formula:C₁₄H₁₆N₂O₃S₂
Molecular Weight:324.425
Hs Code.:
DSSTox Substance ID:DTXSID301121129
ChEMBL ID:CHEMBL1489665
Mol file:59898-75-8.mol

Synonyms:59898-75-8;2-((3-Ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid;MLS-0091945.0001;(3-Ethyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]-thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid;2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid;cid_742743;CHEMBL1489665;BDBM46134;DTXSID301121129;STK004922;AKOS000547218;(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid;CS-0358323;2-[(3-ethyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]acetic acid;(3-Ethyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3- d ]pyrimidin-2-ylsulfanyl)-acetic acid;[(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid;2-((3-Ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)aceticacid;2-[(3-Ethyl-3,4,5,6,7,8-hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]acetic acid;2-[(3-ethyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoic acid;2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]acetic acid

Suppliers and Price of 2-[(3-Ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid

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

Crysdot
2-((3-Ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)aceticacid 97%
1g
$ 583.00

American Custom Chemicals Corporation
(3-ETHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-2-YLSULFANYL)-ACETIC ACID 95.00%
5MG
$ 505.60

Total 4 raw suppliers

Chemical Property of 2-[(3-Ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:324.06023472
Heavy Atom Count:21
Complexity:483

Purity/Quality:

99% ^*data from raw suppliers

2-((3-Ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)aceticacid 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCN1C(=O)C2=C(N=C1SCC(=O)O)SC3=C2CCCC3

Technology Process of 2-[(3-Ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid

There total 2 articles about 2-[(3-Ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid 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:

: 59898-51-0
2-(3-ethyl-thioureido)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester

: 59898-75-8
(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: HCl / ethanol / Heating

2: KOH / ethanol / Heating

With hydrogenchloride; potassium hydroxide; In ethanol;
DOI:10.1002/jps.2600650507