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232793

3-Formylbenzoic acid

Name: 3-Formylbenzoic acid
Brand: ALDRICH

97%

Synonym(s):

3-Carboxybenzaldehyde, Isophthalaldehydic acid

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About This Item

Linear Formula:

HO₂CC₆H₄CHO

CAS Number:

619-21-6

Molecular Weight:

150.13

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24853930

EC Number:

210-585-6

Beilstein/REAXYS Number:

2206413

MDL number:

MFCD00039575

Assay:

97%

Form:

powder

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Properties

Quality Level

200

assay

97%

form

powder

mp

173-175 °C (lit.)

solubility

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

functional group

aldehyde, carboxylic acid

SMILES string

[H]C(=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

Description

General description

3-Formylbenzoic acid is a polar aromatic aldehyde used in the synthesis of 3-hydroxymethylbenzoic acid via reduction.

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-triazolo[4,3-a]quinoxalin-6-yl)amino]methylbenzoic acid

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

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Impact of linker strain and flexibility in the design of a fragment-based inhibitor.

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 4-amino-6-(hetero)arylalkylamino-1,2,4-triazolo[4,3-a]quinoxalin-1-one derivatives as potent A(2A) adenosine receptor antagonists.

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

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)

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Global Trade Item Number

SKU	GTIN
232793-5G	04061838783776
232793-1G	04061838783769