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440728

2,5-Dimethyl-3-furoic acid

Name: 2,5-Dimethyl-3-furoic acid
Brand: ALDRICH

98%

Synonym(s):

2,5-Dimethyl-3-furancarboxylic acid

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About This Item

Empirical Formula (Hill Notation):

C₇H₈O₃

CAS Number:

636-44-2

Molecular Weight:

140.14

NACRES:

NA.22

PubChem Substance ID:

24867620

UNSPSC Code:

12352100

EC Number:

211-257-5

MDL number:

MFCD00082181

Assay:

98%

Form:

powder

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Properties

Quality Level

100

assay

98%

form

powder

mp

137-140 °C (lit.)

functional group

carboxylic acid

SMILES string

Cc1cc(C(O)=O)c(C)o1

InChI

1S/C7H8O3/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3,(H,8,9)

InChI key

CNTHHNPBADVTRY-UHFFFAOYSA-N

Description

Application

2,5-Dimethyl-3-furoic acid may be used as carboxylato ligand in the preparation of the following titanocene complexes:

[Ti(η⁵-C₅H₅)₂(OOC-dmf)₂]
[Ti(η⁵-C₅H₄Me)₂(OOC-dmf)₂]

pictograms

GHS07

signalword

Warning

hcodes

H315,H319,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Synthesis, characterization and in vitro biological studies of titanocene (IV) derivatives containing different carboxylato ligands.

Ceballos-Torres J, et al.

Journal of Organometallic Chemistry, 716, 201-207 (2012)

Anticancer activity of dinuclear gallium(III) carboxylate complexes.

Milena R Kaluderović et al.

European journal of medicinal chemistry, 45(2), 519-525 (2009-11-21)

The reaction of 3-methoxyphenylacetic acid, 4-methoxyphenylacetic acid, mesitylthioacetic acid, 2,5-dimethyl-3-furoic acid and 1,4-benzodioxane-6-carboxylic acid with trimethylgallium (1:1) yielded the dimeric complexes [Me(2)Ga(micro-O(2)CCH(2)C(6)H(4)-3-OMe)](2) (1), [Me(2)Ga(micro-O(2)CCH(2)C(6)H(4)-4-OMe)](2) (2), [Me(2)Ga(micro-O(2)CCH(2)SMes)](2) (3) (Mes=2,4,6-Me(3)C(6)H(2)), [Me(2)Ga{micro-O(2)C(Fur)}](2) (4) (Fur=2,5-dimethylfuran) and [Me(2)Ga{micro-O(2)C(Bdo)}](2) (5) (Bdo=1,4-benzodioxane) respectively. The molecular structure of

Study of the cytotoxic activity of di and triphenyltin(IV) carboxylate complexes.

Santiago Gómez-Ruiz et al.

Journal of inorganic biochemistry, 102(12), 2087-2096 (2008-09-02)

The reaction of 3-methoxyphenylacetic acid (3-MPAH), 4-methoxyphenylacetic acid (4-MPAH), 2,5-dimethyl-3-furoic acid (DMFUH) or 1,4-benzodioxane-6-carboxylic acid (BZDOH) with triphenyltin(IV) chloride (1:1) or diphenyltin(IV) dichloride (2:1) in the presence of triethylamine yielded the compounds [SnPh3(3-MPA)] (1), [SnPh3(4-MPA)] (2), [SnPh3(DMFU)] (3), [SnPh3(BZDO)] (4)

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Global Trade Item Number

SKU	GTIN
440728-25G	04061833547625
440728-5G	04061833314241