(5,6-Dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetic acid

Base Information

• Chemical Name: (5,6-Dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetic acid
• CAS No.: 296262-16-3
• Molecular Formula: C₁₀H₁₀N₂O₂S₂
• Molecular Weight: 254.334
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30352009
• Wikidata: Q82128914
• Pharos Ligand ID: Y3UPF14LPGZZ
• ChEMBL ID: CHEMBL1689356
• Mol file: 296262-16-3.mol

Synonyms:296262-16-3;(5,6-Dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetic acid;2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetic acid;2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid;CHEMBL1689356;[(5,6-DIMETHYLTHIENO[2,3-D]PYRIMIDIN-4-YL)THIO]ACETIC ACID;MFCD00449576;2-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)thio)acetic acid;2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-ylthio)acetic acid;Cambridge id 5249016;TimTec1_001865;CBDivE_011858;SCHEMBL439342;DTXSID30352009;VSOXJMQZOPRPGI-UHFFFAOYSA-N;HMS1539E17;WLA26216;BDBM50154370;STK747996;AKOS000267321;CCG-103886;NS-03840;PD128279;BB 0219332;CS-0307664;EU-0001426;EN300-04447;AB00076672-01;SR-01000399439;SR-01000399439-1;BRD-K06412143-001-01-2;Z31205713;(5,6-Dimethylthieno[2,3-d]pyrimidin-4-ylsulfanyl)acetic acid;2-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)thio)aceticacid;(5,6-dimethyl-thieno[2,3-d ]pyrimidin-4-ylsulfanyl)-acetic acid;[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid

Chemical Property of (5,6-Dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetic acid

Chemical Property:

• PSA: 116.62000
• LogP: 2.48480
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 254.01836991
• Heavy Atom Count: 16
• Complexity: 278

Purity/Quality:

99% ^*data from raw suppliers

(5,6-Dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC2=C1C(=NC=N2)SCC(=O)O)C

Technology Process of (5,6-Dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetic acid

There total 7 articles about (5,6-Dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-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:

methyl 2-((5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio)acetate (457640-91-4) → 2-((5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio)acetic acid (296262-16-3)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water;

DOI:10.1016/j.bmcl.2016.02.021

Reference yield:

4-chloro-5,6-dimethyl-thieno[2,3-d]pyrimidine (108831-68-1) → 2-((5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio)acetic acid (296262-16-3)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine

2: sodium hydroxide / tetrahydrofuran; water

With triethylamine; sodium hydroxide; In tetrahydrofuran; water;

DOI:10.1016/j.bmcl.2016.02.021

Reference yield:

5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-4-thione (307512-33-0) → 2-((5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio)acetic acid (296262-16-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / ethanol; water / 0.08 h / Reflux

2: water; sodium hydroxide

With water; sodium hydroxide; In ethanol; water;

DOI:10.1016/j.ejmech.2010.12.025

upstream raw materials:

5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-4-thione

C₁₂H₁₄N₂O₂S₂

5,6-dimethylthieno<2,3-d>pyrimidin-4(3H)-one

2-amino-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester

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