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Dimethyl Acetylsuccinate - >96.0%(GC), high purity , CAS No.10420-33-4

COA

Grade & Purity:

≥96%(GC)

Cas Number: 10420-33-4
Molecular Weight: 188.18
Beilstein Registry Number: 3(4)1825
MDL number: MFCD00008448
PubChem CID: 112039
PubChem SID: 488187474

In stock

Item Number

D155592

Grouped product items
SKU	Size	Availability	Price
D155592-25g	25g	3	$16.90
D155592-100g	100g	3	$58.90
D155592-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$102.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	NCGC00254875-01 \| CAS-10420-33-4 \| Butanedioic acid, acetyl-, dimethyl ester \| EN300-36667 \| ACETOSUCCINIC ACID, DIMETHYL ESTER \| dimethyl acetyl succinate \| Q27109405 \| FT-0621836 \| InChI=1/C8H12O5/c1-5(9)6(8(11)13-3)4-7(10)12-2/h6H,4H2,1-3H3 \| 4-(3-FORM
Specifications & Purity	≥96%(GC)
Shipped In	Normal
Product Description	Dimethyl acetylsuccinate undergoes sulfuric acid catalyzed Pechmann condensation with the corresponding resorcinol derivative to give 7-hydroxycoumarins. Dimethyl acetylsuccinate has been used in the synthesis of 2-oxofuro[2,3-b]pyrroles and 19-methyl-15-oxa-20-azatricyclo[12.3.3.0(1,14)]icos-18-en-18-carboxylates. Reactant involved in: . Cyclization for the synthesis of β-carbolines . Synthesis of photochromic molecules with improved fatigue resistances and dark form stabilities . Asymmetric hydrogenation of acylsuccinate followed by lactonization for synthesis of oxotetrahydrofurancarboxylates . Amidation for synthesis of amino-acid derivatives of dihydropyranocoumarins

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Keto acids and derivatives
    - Subclass Gamma-keto acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Keto acids and derivatives
Subclass	Gamma-keto acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Gamma-keto acids and derivatives
Alternative Parents	Fatty acid methyl esters Beta-keto acids and derivatives Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Methyl esters Ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Gamma-keto acid - Beta-keto acid - Fatty acid ester - Fatty acid methyl ester - Dicarboxylic acid or derivatives - Fatty acyl - 1,3-dicarbonyl compound - Methyl ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.
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

Pubchem Sid	488187474
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187474
IUPAC Name	dimethyl 2-acetylbutanedioate
INCHI	InChI=1S/C8H12O5/c1-5(9)6(8(11)13-3)4-7(10)12-2/h6H,4H2,1-3H3
InChIKey	XREKLQOUFWBSFH-UHFFFAOYSA-N
Smiles	CC(=O)C(CC(=O)OC)C(=O)OC
Isomeric SMILES	CC(=O)C(CC(=O)OC)C(=O)OC
Molecular Weight	188.18
Beilstein	3(4)1825
Reaxy-Rn	1783682
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1783682&ln=

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

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

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7 results found

Lot Number	Certificate Type	Date	Item
G1718054	Certificate of Analysis	Jan 22, 2025	D155592
C2302331	Certificate of Analysis	Jan 05, 2023	D155592
C2302349	Certificate of Analysis	Jan 05, 2023	D155592
C2302350	Certificate of Analysis	Jan 05, 2023	D155592
D2307319	Certificate of Analysis	Jan 05, 2023	D155592
C2302360	Certificate of Analysis	Jan 05, 2023	D155592
C2302330	Certificate of Analysis	Jan 05, 2023	D155592

Chemical and Physical Properties

Sensitivity	Air Sensitive
Flash Point(°F)	230°F
Flash Point(°C)	>110℃
Boil Point(°C)	129-134℃/12mm
Melt Point(°C)	30-33℃
Molecular Weight	188.180 g/mol
XLogP3	-0.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	188.068 Da
Monoisotopic Mass	188.068 Da
Topological Polar Surface Area	69.700 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	221.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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