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Sigma-Aldrich

2-Iodo-3-methylbenzoic acid

97%

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About This Item

Linear Formula:
IC6H3(CH3)CO2H
CAS Number:
Molecular Weight:
262.04
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:

Assay

97%

mp

150-153 °C (lit.)

SMILES string

Cc1cccc(C(O)=O)c1I

InChI

1S/C8H7IO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11)

InChI key

PZUXUOZSSYKAMX-UHFFFAOYSA-N

Application

2-Iodo-3-methylbenzoic acid may be used in the synthesis of:
  • methyl 2-iodo-3-methylbenzoate
  • 10,11-dihydro-10-oxodibenz[b,f]oxepin-4-acetic acid
  • 5-methyl-3-pentyl-1H-isochromen-1-one

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Asymmetric allylic oxidation with biarylbisoxazoline-copper (I) catalysis.
Andrus MB and Asgari D.
Tetrahedron, 56(32), 5775-5780 (2000)
Veronika Hampl et al.
Scientia pharmaceutica, 79(1), 21-30 (2011-05-28)
New isocoumarins were prepared in an efficient way from 2-iodobenzoic acid derivatives and hept-1-yne in a Sonogashira reaction, followed by spontaneous cyclization. Catalytic hydrogenation gave the corresponding dihydroisocoumarins. A 4-chloroisocoumarin was prepared on an alternative pathway. Some of the new
G W Rewcastle et al.
Journal of medicinal chemistry, 34(2), 491-496 (1991-02-01)
A series of tricyclic analogues of 9-oxo-9H-xanthene-4-acetic acid have been prepared and evaluated for their ability to cause hemorrhagic necrosis in subcutaneously implanted colon 38 tumors in mice, in an effort to extend the structure-activity relationships for this series. As

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