232793

Sigma-Aldrich

3-Formylbenzoic acid

97%

Synonym(s):
3-Carboxybenzaldehyde, Isophthalaldehydic acid
Linear Formula:
HO2CC6H4CHO
CAS Number:
Molecular Weight:
150.13
Beilstein/REAXYS Number:
2206413
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

assay

97%

mp

173-175 °C (lit.)

solubility

methanol: soluble 100 mg/mL, clear to slightly hazy, colorless to very faintly brown(lit.)

SMILES string

HC(=O)c1cccc(c1)C(O)=O

InChI

1S/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11)

InChI key

UHDNUPHSDMOGCR-UHFFFAOYSA-N

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Related Categories

Application

3-Formylbenzoic acid was used in the synthesis of:
  • bicyclic cis-2-azetidinone derivatives via Ugi 4-centre 3-component reaction
  • porphyrin capped with a steroidal superstructure bearing convergent hydroxy groups
  • 3-(4-amino-1,2-dihydro-1-oxo-2-phenyl-1,2,4-triazolo4,3-aquinoxalin-6-yl)aminomethylbenzoic acid

Packaging

1, 5 g in glass bottle

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Hazard Codes

Xi

Risk Statement

36/37/38

Safety Statement

26

RIDADR

NONH for all modes of transport

WGK Germany

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Suhman Chung et al.
Nature chemical biology, 5(6), 407-413 (2009-04-28)
The linking together of molecular fragments that bind to adjacent sites on an enzyme can lead to high-affinity inhibitors. Ideally, this strategy would use linkers that do not perturb the optimal binding geometries of the fragments and do not have...
Synthesis of Alicyclic-lactams via the Ugi Reaction on a Solid Support.
Gedey S, et al.
Letters in Organic Chemistry, 1(3), 215-220 (2004)
Synthesis, binding properties and self-functionalization of a steroid-capped porphyrin.
Richard P and Jeremy KM.
Journal of the Chemical Society. Chemical Communications, 8, 574-577 (1991)
Vittoria Colotta et al.
Bioorganic & medicinal chemistry, 11(24), 5509-5518 (2003-12-04)
In previous papers (Colotta, V. et al. Arch. Pharm. Pharm. Med. Chem. 1999, 332, 39. Colotta, V. et al. J. Med. Chem. 2000, 43, 1158) we reported the synthesis and binding affinity at bovine (b) A(1) and A(2A) and human...
Steven R Inglis et al.
Journal of medicinal chemistry, 52(19), 6097-6106 (2009-09-08)
Penicillin binding proteins (PBPs) catalyze steps in the biosynthesis of bacterial cell walls and are the targets for the beta-lactam antibiotics. Non-beta-lactam based antibiotics that target PBPs are of interest because bacteria have evolved resistance to the beta-lactam antibiotics. Boronic...

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