Lot numbers can be found on the outside label of a product:
3-Chloro-4-(methoxycarbonyl)benzoic acid
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CAS No. 55737-77-4
- Cat. No. CS-W019886
- Purity≥98%
- MDL No.MFCD00100478
*For research and further manufacturing use only, not for direct human use.
Structure of 55737-77-4
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General Information
- CAS No. 55737-77-4
- Cat. No. CS-W019886
- Purity ≥98%
- MDL No. MFCD00100478
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₇ClO₄
- Molecular Weight None
- Synonym(s) 3-Chloro-4-methoxycarbonylbenzoic acid; 3-Chloro-4-(methoxycarbonyl)
- SMILES O=C(C1=CC=C(C(O)=O)C=C1Cl)OC
Description
3-Chloro-4-(methoxycarbonyl)benzoic acid features a strategically positioned chloro group and ester-functionalized side chain, enabling direct incorporation into coupling reactions. This electron-deficient aromatic scaffold facilitates efficient derivatization in synthetic routes requiring orthogonal reactivity and enhanced solubility under standard conditions.
Application
3-Chloro-4-(methoxycarbonyl)benzoic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling efficient access to substituted benzimidazoles, benzothiazoles, and heterocyclic scaffolds via standard coupling and cyclization protocols. Its ortho-chloro and meta-carboxylic ester functionalities offer complementary reactivity for palladium-catalyzed cross-couplings and selective derivatization, while maintaining bench stability and ease of purification.
Synthesis
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Route1
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In-stock
60728-41-8 - ~40%
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In-stock
55737-77-4
References
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NISSAN CHEMICAL INDUSTRIES, LTD. Patent: WO2004/108683 A1, 2004 ; Location in patent: Page 549-550 ;
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Route2
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18643-84-0 -
151900-28-6 - ~55%
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In-stock
55737-77-4
References
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Fotouhi, Nader; Gillespie, Paul; Guthrie, Robert William; Pietranico-Cole, Sherrie Lynn; Yun, Weiya Patent: US2002/161237 A1, 2002 ;
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Route3
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1403326-84-0
- ~%
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In-stock
55737-77-4
References
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Furmick, Julie K.; Kaneko, Ichiro; Walsh, Angela N.; Yang, Joanna; Bhogal, Jaskaran S.; Gray, Geoffrey M.; Baso, Juan C.; Browder, Drew O.; Prentice, Jessica L.S.; Montano, Luis A.; Huynh, Chanh C.; Marcus, Lisa M.; Tsosie, Dorian G.; Kwon, Jungeun S.; Quezada, Alexis; Reyes, Nicole M.; Lemming, Brittney; Saini, Puneet; vanderVaart, Arjan; Groy, Thomas L.; Marshall, Pamela A.; Jurutka, Peter W.; Wagner, Carl E. ChemMedChem, 2012 , vol. 7, # 9 p. 1551 - 1566
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 63.6
- LogP 1.8248
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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