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370215

Sigma-Aldrich

Methyl 3,5-dimethylbenzoate

98%

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Linear Formula:
(CH3)2C6H3CO2CH3
CAS Number:
Molecular Weight:
164.20
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

98%

form

solid

bp

239-240 °C (lit.)

mp

31-33 °C (lit.)

density

1.027 g/mL at 25 °C (lit.)

SMILES string

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

InChI

1S/C10H12O2/c1-7-4-8(2)6-9(5-7)10(11)12-3/h4-6H,1-3H3

InChI key

PEVXENGLERTHJE-UHFFFAOYSA-N

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Methyl 3,5-dimethylbenzoate 98%

370215

Methyl 3,5-dimethylbenzoate

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405817

Methyl 5,5-dimethoxyvalerate

Methyl 3,5-dimethoxybenzoate 99%

168793

Methyl 3,5-dimethoxybenzoate

3,5-Dimethylbenzenethiol 90%

522929

3,5-Dimethylbenzenethiol

mp

31-33 °C (lit.)

mp

-

mp

42-43 °C (lit.)

mp

-

density

1.027 g/mL at 25 °C (lit.)

density

1.012 g/mL at 25 °C (lit.)

density

-

density

1.015 g/mL at 25 °C (lit.)

bp

239-240 °C (lit.)

bp

70-72 °C/2 mmHg (lit.)

bp

298 °C (lit.)

bp

127.5 °C/50 mmHg (lit.)

form

solid

form

liquid

form

solid

form

-

General description

Methyl 3,5-dimethylbenzoate is an aromatic carboxylic acid ester. It was selected as ligand during monomer screening for the synthesis and investigation of various europium compounds containing pinacolyl methylphosphonate with different ligands. Methyl 3,5-dimethylbenzoate is reported as precursor of methyl-3,5-divinylbenzoate.

Application

Methyl 3,5-dimethylbenzoate may be used in the preparation of four carbon isostere related to highly active 4-pyridinemethanols, which were subsequently evaluated for their antimalarial activity. It may be used in the total synthesis of (±)-indoxamycin B.

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

224.6 °F - closed cup

flash_point_c

107.00 °C - closed cup

ppe

Eyeshields, Gloves, type N95 (US)


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Oliver F Jeker et al.
Angewandte Chemie (International ed. in English), 51(14), 3474-3477 (2012-02-22)
Revised version: the first total synthesis of indoxamycin B leads to a stereochemical reassignment of the natural product. The synthetic route features an efficient carboannulation sequence to rapidly access the dihydroindenone system. Moreover, a series of Au(I)-catalyzed transformations served in
Molecularly imprinted polymers for the selective sequestering and sensing of ions.
The Johns Hopkins Medical Letter Health After 50, 18(4), 465-465 (1997)
A Markovac et al.
Journal of medicinal chemistry, 23(11), 1198-1201 (1980-11-01)
Four carbon isosteres related to the highly active 4-pyridylcarbinolamines were prepared and evaluated for suppressive antimalarial activity against Plasmodium berghei in mice. Three of the four examples possessed significant activity but were approximately one dose level less active than the
A L Jenkins et al.
Analytical chemistry, 71(2), 373-378 (1999-02-09)
The techniques of molecular imprinting and sensitized lanthanide luminescence have been combined to create the basis for a sensor that can selectively measure the hydrolysis product of the nerve agent Soman in water. The sensor functions by selectively and reversibly

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