structure-of-Dimethyl-5-ethynylisophthalate-CAS-313648-56-5

Dimethyl 5-ethynylisophthalate CAS 313648-56-5

Identification

CAS Number

313648-56-5

Name

Dimethyl 5-ethynylisophthalate

Synonyms

1,3-Benzenedicarboxylic acid, 5-ethynyl-, dimethyl ester [ACD/Index Name]
313648-56-5 [RN]
5-Éthynylisophtalate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5-acetylenylphenyl-1,3-dicarboxylate
DIMETHYL 5-ETHYNYLBENZENE-1,3-DIOATE
Dimethyl 5-ethynylisophthalate [ACD/IUPAC Name]
Dimethyl-5-ethinylisophthalat [German] [ACD/IUPAC Name]
MFCD14635808
dimethyl5-ethynylisophthalate

SMILES

COC(=O)c1cc(cc(c1)C(=O)OC)C#C

StdInChI

InChI=1S/C12H10O4/c1-4-8-5-9(11(13)15-2)7-10(6-8)12(14)16-3/h1,5-7H,2-3H3

StdInChIKey

RSSODPUFUQKWIK-UHFFFAOYSA-N

Molecular Formula

C12H10O4

Molecular Weight

218.205

EINECS

MDL Number

MFCD14635808

Properties

Appearance

Melting Point

Boiling Point

Safety Data

Symbol

Signal Word

Hazard statements

WGK Germany

3

MSDS Download

Specifications and Other Information of Our

Identification Methods

HNMR, HPLC

Purity

98% min

Specific Optical Rotation

Heavy Metals

Water

Loss on Drying

Residue on Ignition

Single Impurity

Total Impurities

Shelf Life

1 year

Storage

Under room temperature away from light

Known Application

Ligand used in a synthesis of heterocycles by palladium-catalyzed C-N cross coupling of 3-bromothiophenes with 2-aminopyridines. Also used in a ruthenium-catalyzed alkylation of active methylene compounds with alcohols. Metal chelating ligand for catalysis.

General View of Documents

NMR of Dimethyl 5-ethynylisophthalate CAS 313648-56-5

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