1,3-ジチオラン-2-カルボン酸エチル - ≥97% , CAS No.20461-99-8

CAS: 20461-99-8 Cat. No.: E156415 分子式: C6H10O2S2 分子量: 178.26 Beilstein Registry Number: 118157
注文可能
GRADE & PURITY ≥97%
Synonyms
1,3-ジチオラン-2-カルボン酸エチルエステル|ETHYL1,3-DITHIOLANE-2-CARBOXYLATE|2-カルボエトキシジチオラン|UNII-ZP3BM93ES6|ZP3BM93ES6|1,3-ジチオラン-2-カルボン酸エチルエステル|MFCD00005411|EINECS
Storage
2-8℃で保存、遮光、アルゴン充填
Shipped In
濡れた氷
★
Size
USA
ドイツ (EU)*
Price
Qty
1g
E156415-1g
2 在庫あり
—
$34.90
5g
E156415-5g
1 在庫あり
—
$117.90
25g
E156415-25g
受注生産 · 8~12週間
$411.90
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

2-8℃で保存、遮光、アルゴン充填 Ships 濡れた氷 Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

1,3-ジチオラン-2-カルボン酸エチルは、α-ケト酸の等価体である。1,3-ジチオラン-2-カルボン酸エチルから誘導されるアニオンは、コリナントアルカロイドであるジヒドロコリナンテオールの全合成やインドールアルカロイドであるタカモニン、リンチョフィリン、ヒルスチンの形式合成の際に求核剤として関与する。また、フェニルグリシノール由来のα,β-不飽和δ-ラクタムへのエノレートの共役付加にも関与する。

Specifications

同義語
1,3-ジチオラン-2-カルボン酸エチルエステル|ETHYL1,3-DITHIOLANE-2-CARBOXYLATE|2-カルボエトキシジチオラン|UNII-ZP3BM93ES6|ZP3BM93ES6|1,3-ジチオラン-2-カルボン酸エチルエステル|MFCD00005411|EINECS
仕様と純度
≥97%
保管条件
2-8℃で保存、遮光、アルゴン充填
入荷
濡れた氷
純度
≥97%
名前と識別子
パブケム・シド
カノニカル・スマイル
CCOC(=O)C1SCCS1
IUPAC Name
ethyl 1,3-dithiolane-2-carboxylate
InChIKey
OMCSHTHLIQOHDD-UHFFFAOYSA-N
INCHI
1S/C6H10O2S2/c1-2-8-5(7)6-9-3-4-10-6/h6H,2-4H2,1H3
異性体SMILES
CCOC(=O)C1SCCS1
WGKドイツ
3
分子量
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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
分類Dithiolanes
Subclass1,3-dithiolanes
Intermediate Tree Nodes Not available
Direct Parent1,3-dithiolanes
Alternative Parents Dithioacetals  Carboxylic acid esters  Monocarboxylic acids and derivatives  Dialkylthioethers  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic 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
説明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
3 D構造
インタラクティブ化学構造モデル





証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot NumberCertificate Type日付商品
E2527469Certificate of AnalysisJun 06, 2025 E156415
E2527470Certificate of AnalysisJun 06, 2025 E156415
E2527471Certificate of AnalysisJun 06, 2025 E156415
E2430344Certificate of AnalysisJun 12, 2024 E156415
E2430345Certificate of AnalysisJun 12, 2024 E156415
E2430346Certificate of AnalysisJun 12, 2024 E156415
E2430347Certificate of AnalysisJun 12, 2024 E156415
E2430373Certificate of AnalysisJun 12, 2024 E156415
化学的性質と物理的性質
感度light sensitive
屈折率1.539
引火点(°F)235.4 °F
引火点(°C)113 °C
沸点(°C)85 °C/0.1 mmHg
分子量178.300 g/mol
XLogP31.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass178.012 Da
Monoisotopic Mass178.012 Da
Topological Polar Surface Area76.900 Ų
Heavy Atom Count10
Formal Charge0
Complexity121.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
ソリューション計算機
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