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440728

Sigma-Aldrich

2,5-Dimethyl-3-furoic acid

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
EC Number:
211-257-5
MDL number:
MFCD00082181
UNSPSC Code:
12352100
PubChem Substance ID:
24867620
NACRES:
NA.22

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

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

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBC6526V
S70474V
S70474
00617HJ
S45321

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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)
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)
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
Lourdes Rocamora-Reverte et al.
ChemMedChem, 7(2), 301-310 (2011-12-16)
A group of organotin(IV) complexes were prepared: [SnCy3 (DMNI)] (1), [SnCy3 (BZDO)] (2), [SnCy3 (DMFU)] (3), and [SnPh2 (BZDO)2 ] (4), for which DMNIH=2,6-dimethoxynicotinic acid, BZDOH=1,4-benzodioxane-6-carboxylic acid, and DMFUH=2,5-dimethyl-3-furoic acid. The cytotoxic activities of compounds 1-4 were tested against pancreatic

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