Scopine-2,2-dithienyl glycolate

• CAS: 136310-64-0
• Catalog Number: ACM136310640
• Category: Thiophenes
• Molecular Weight: 377.47
• Molecular Formula: C18H19NO4S2
• Synonyms: Scopine di(2-thienyl) glycolate
• Melting Point: 138-140°C(lit.)
• Appearance: White to Off-White Solid

Custom Q&A

What is the molecular formula of Scopine-2,2-dithienyl glycolate?

The molecular formula of Scopine-2,2-dithienyl glycolate is C18H19NO4S2.

What are some synonyms for Scopine-2,2-dithienyl glycolate?

Some synonyms for Scopine-2,2-dithienyl glycolate include Scopine di(2-thienyl)glycolate and Scopine Di(2-thienylglycolate).

What is the molecular weight of Scopine-2,2-dithienyl glycolate?

The molecular weight of Scopine-2,2-dithienyl glycolate is 377.5 g/mol.

When was Scopine-2,2-dithienyl glycolate created and last modified?

Scopine-2,2-dithienyl glycolate was created on 2009-05-28 and last modified on 2023-12-30.

What is the IUPAC name of Scopine-2,2-dithienyl glycolate?

The IUPAC name of Scopine-2,2-dithienyl glycolate is [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0 2,4 ]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate.

What is the InChIKey of Scopine-2,2-dithienyl glycolate?

The InChIKey of Scopine-2,2-dithienyl glycolate is VPJFFOQGKSJBAY-UGTXJPTRSA-N.

What is the canonical SMILES representation of Scopine-2,2-dithienyl glycolate?

The canonical SMILES representation of Scopine-2,2-dithienyl glycolate is CN1C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O.

What is the European Community (EC) Number of Scopine-2,2-dithienyl glycolate?

The European Community (EC) Number of Scopine-2,2-dithienyl glycolate is 603-953-6.

What is the XLogP3-AA value of Scopine-2,2-dithienyl glycolate?

The XLogP3-AA value of Scopine-2,2-dithienyl glycolate is 2.3.

How many hydrogen bond acceptors are present in the structure of Scopine-2,2-dithienyl glycolate?

There are 7 hydrogen bond acceptors present in the structure of Scopine-2,2-dithienyl glycolate.

Synthetic Use

Upstream Synthesis Route 1

• 26447-85-8
• 498-45-3

• 136310-64-0

Reference: [1] Patent: WO2013/46138, 2013, A1, . Location in patent: Page/Page column 9; 10

Upstream Synthesis Route 2

• 26447-85-8
• 498-45-3

• 136310-64-0

Reference: [1] Patent: WO2013/143510, 2013, A1, . Location in patent: Page/Page column 9; 18-19

Upstream Synthesis Route 3

• 26447-85-8
• 51-34-3

• 136310-64-0

Reference: [1] Patent: CN104557905, 2018, B, . Location in patent: Paragraph 0061-0103

Upstream Synthesis Route 4

• 136310-66-2

• 136310-64-0

Reference: [1]Australian Journal of Chemistry,2006,vol. 59,p. 53 - 58
[2]Patent: US2003/236409,2003,A1 .Location in patent: Page 7
[3]Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,2010,vol. 75,p. 1159 - 1162