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Ethyl 1,3-Dithiolane-2-carboxylate - 97%, high purity , CAS No.20461-99-8

COA

Grade & Purity:

≥97%

Cas Number: 20461-99-8
Molecular Weight: 178.26
Beilstein Registry Number: 118157
MDL number: MFCD00005411
PubChem CID: 88551

In stock

Item Number

E156415

Grouped product items
SKU	Size	Availability	Price
E156415-1g	1g	2	$16.90
E156415-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$62.90
E156415-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$282.90

View related series

Halogen free heterocyclic block (1207) Heterocyclic block (497)

Basic Description

Synonyms	1,3-Dithiolane-2-carboxylic acid, ethyl ester \| ETHYL1,3-DITHIOLANE-2-CARBOXYLATE \| 2-Carboethoxydithiolane \| UNII-ZP3BM93ES6 \| ZP3BM93ES6 \| 1,3-Dithiolane-2-carboxylic Acid Ethyl Ester \| MFCD00005411 \| EINECS
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Ethyl 1,3-dithiolane-2-carboxylate is an α-keto acid equivalent. It participates in the conjugate additions to enones.It is a bulky equivalent of acetate undergoing syn-selective aldol reactions.Anion derived from ethyl 1,3-dithiolane-2-carboxylate participates as nucleophile during the total synthesis of the corynanthe alkaloid dihydrocorynantheol and the formal syntheses of the indole alkaloids tacamonine, rhynchophylline and hirsutine. It also participates in the conjugate addition of enolates to phenylglycinol-derived α,β-unsaturated δ-lactams.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Dithiolanes
    - Subclass 1,3-dithiolanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Dithiolanes
Subclass	1,3-dithiolanes
Intermediate Tree Nodes	Not available
Direct Parent	1,3-dithiolanes
Alternative Parents	Dithioacetals Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylthioethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	1,3-dithiolane - Thioacetal - Carboxylic acid ester - Dialkylthioether - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1,3-dithiolanes. These are organic compounds containing a 1,3-dithiolane ring. 1,3-dithiolane moiety is a 5-membered saturated aliphatic ring with three carbon atoms, and two sulfur atoms at the 1- and 3- ring positions.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	ethyl 1,3-dithiolane-2-carboxylate
INCHI	InChI=1S/C6H10O2S2/c1-2-8-5(7)6-9-3-4-10-6/h6H,2-4H2,1H3
InChIKey	OMCSHTHLIQOHDD-UHFFFAOYSA-N
Smiles	CCOC(=O)C1SCCS1
Isomeric SMILES	CCOC(=O)C1SCCS1
WGK Germany	3
Molecular Weight	178.26
Beilstein	118157
Reaxy-Rn	118157
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118157&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
E2527469	Certificate of Analysis	Jun 06, 2025	E156415
E2527470	Certificate of Analysis	Jun 06, 2025	E156415
E2527471	Certificate of Analysis	Jun 06, 2025	E156415
E2430344	Certificate of Analysis	Jun 12, 2024	E156415
E2430345	Certificate of Analysis	Jun 12, 2024	E156415
E2430346	Certificate of Analysis	Jun 12, 2024	E156415
E2430347	Certificate of Analysis	Jun 12, 2024	E156415
E2430373	Certificate of Analysis	Jun 12, 2024	E156415

Chemical and Physical Properties

Sensitivity	light sensitive
Refractive Index	1.539
Flash Point(°F)	235.4 °F
Flash Point(°C)	113 °C
Boil Point(°C)	85 °C/0.1 mmHg
Molecular Weight	178.300 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	178.012 Da
Monoisotopic Mass	178.012 Da
Topological Polar Surface Area	76.900 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	121.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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