Methyl 5-chloro-2-formylbenzoate

Name: Methyl 5-chloro-2-formylbenzoate
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CAS No. 1203589-45-0
Cat. No. CS-0435061
Purity≥97%
MDL No.MFCD18382526

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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Methyl 5-chloro-2-formylbenzoate|CS-0435061

Structure of 1203589-45-0

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General Information

CAS No. 1203589-45-0
Cat. No. CS-0435061
Purity ≥97%
MDL No. MFCD18382526
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇ClO₃
Molecular Weight 198.60
Synonym(s) Benzoic acid, 5-chloro-2-formyl-, methyl ester
SMILES O=C(OC)C1=CC(Cl)=CC=C1C=O

Description

Methyl 5-chloro-2-formylbenzoate features a strategically positioned formyl group flanked by a chlorine atom and ester functionality, enabling direct coupling in cross-coupling reactions. This electron-deficient aromatic scaffold integrates readily into complex molecular architectures under standard conditions.

Application

Methyl 5-chloro-2-formylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted benzimidazoles and heterocyclic scaffolds via condensation reactions. The ortho-formyl group facilitates electrophilic substitution and nucleophilic addition, while the methyl ester provides a handle for further derivatization. Its bench-stable nature and compatibility with common reaction conditions make it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

Synthesis

Route1
- 67-56-1
- 201230-82-2
- In-stock
  
  84459-33-6
- ~9%
- In-stock
  
  1203589-45-0
References
- ABIDE THERAPEUTICS; THE SCRIPPS RESEARCH INSTITUTE; CISAR, Justin, S.; GRICE, Cheryl, A.; JONES, Todd, K.; WANG, Dong-Hui; WEBER, Olivia; CRAVATT, Benjamin, F.; NIPHAKIS, Micah, J.; COGNETTA, Armand; CHANG, Jae Won Patent: WO2013/142307 A1, 2013 ; Location in patent: Paragraph 00464 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

Quality Control

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Computational Chemistry Data

TPSA 43.37
LogP 1.9391
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Aldehyde

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 5-chloro-2-formylbenzoate

CAS No. 1203589-45-0

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