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

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
NMR1 of Dimethyl 5-ethynylisophthalate CAS 313648-56-5

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

This prod­uct is devel­oped by our R&D com­pa­ny Wat­sonChem Advanced Chem­i­cal Mate­ri­als (https://​www​.wat​sonchem​.com/).

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