Methyl 4-formylbenzoate

CAT: 0804-HY-78000-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0804-HY-78000-01Size:25 g

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Description

Methyl 4-formylbenzoate (4-Carbomethoxybenzaldehyde) is a drug intermediate that can be used to synthesis chalcone amide α-glucosidase inhibitors[1].

CAS Number

1571-08-0

Product Name Alternative

4-Carbomethoxybenzaldehyde; 4-Carboxybenzaldehyde methyl ester; Terephthalaldehydic acid methyl ester; Methyl 4-formylbenzoate

UNSPSC

12352200

Hazard Statement

H302, H315, H319, H335

Target

Drug Intermediate

Type

Biochemical Assay Reagents

Related Pathways

Others

Applications

COVID-19-immunoregulation

Field of Research

Metabolic Disease

Assay Protocol

https://www.medchemexpress.com/methyl-4-formylbenzoate.html

Purity

99.99

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

O=C(OC)C1=CC=C(C([H])=O)C=C1

Molecular Formula

C9H8O3

Molecular Weight

164.16

Precautions

H302, H315, H319, H335

References & Citations

[1]Bergmeyer H U, et al. Biochemical reagents[M]//Methods of Enzymatic Analysis. Academic Press, 1965: 967-1037.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Biochemical Assay Reagents

Clinical Information

No Development Reported

Chemical Information

Methyl 4-Formylbenzoate

Methyl-p-formylbenzoate appears as needles (in water) or white powder. (NTP, 1992)

CAS Number	1571-08-0
PubChem CID	15294
IUPAC Name	methyl 4-formylbenzoate
Molecular Formula	C9H8O3
Molecular Weight	164.16
XLogP	1.7
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	169

SMILES

COC(=O)C1=CC=C(C=C1)C=O

InChI

InChI=1S/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3

InChIKey

FEIOASZZURHTHB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1571-08-0

CID: 15294

Formula: C9H8O3

MW: 164.16

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	164.16
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	164.047344113
Monoisotopic Mass	164.047344113
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
sc-235772	Methyl 4-formylbenzoate
IJB12435-01	Methyl 4-bromo-3-formylbenzoate
455237-01	Methyl 3-fluoro-4-formylbenzoate
sc-286267	Methyl 4-formylbenzoate dimethyl acetal
OR75712-01	Methyl 4-chloro-2-formylbenzoate
KAC79542-01	Methyl 4-bromo-2-formylbenzoate
QDA48452-01	Methyl 2-bromo-4-formylbenzoate
455523-01	Methyl 4-fluoro-3-formylbenzoate
455212-01	Methyl 3-chloro-4-formylbenzoate
OR91437-01	Methyl 4-chloro-3-formylbenzoate

Methyl 4-formylbenzoate

Chemical Information

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