879498-16-5

Basic information

• Product Name: 3-Iodo-2-Methoxybenzoic acid
• Synonyms: 3-Iodo-2-Methoxybenzoic acid
• CAS NO: 879498-16-5
• Molecular Formula: C₈H₇IO₃
• Molecular Weight: 278.04385
• EINECS: -0
• Mol File: 879498-16-5.mol
• Article Data: 4

Chemical Properties

• Melting Point: 122-124 °C
• Boiling Point: 361.4±32.0 °C(Predicted)
• Appearance: /
• Density: 1.878±0.06 g/cm3(Predicted)
• PKA: 3.74±0.10(Predicted)
• CAS DataBase Reference: 3-Iodo-2-Methoxybenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Iodo-2-Methoxybenzoic acid(879498-16-5)
• EPA Substance Registry System: 3-Iodo-2-Methoxybenzoic acid(879498-16-5)

Safety Data

• Hazardous Substances Data: 879498-16-5(Hazardous Substances Data)

Upstream product

• 579-75-9 2-Methoxybenzoic acid 
• 861306-04-9 3-amino-2-methoxybenzoic acid 
• 874347-49-6 3-iodo-2-methoxy-benzaldehyde 
• 23602-64-4 2-hydroxy-3-iodo-benzaldehyde 

Downstream Products

• 620621-40-1 C₉H₉IO₃ 
• 1379318-17-8 3-iodo-2-methoxy-benzoyl chloride 
• 1613269-59-2 3-iodo-2-methoxybenzoic acid tert-butyl ester 
• 1613269-60-5 (3-tert-butoxycarbonyl-2-methoxy-phenyl)methylboronic acid (-)-pinanediolato diester 
• 1613269-61-6 [(1R)-2-(3-tert-butoxycarbonyl-2-methoxy-phenyl)-1-chloro-ethyl]boronic acid (-)-pinanediolato diester 
• 1613269-65-0 [(1S)-1-[[2-[trans-4-[tert-butoxycarbonyl-[2-(tert-butoxycarbonylamino)ethyl]amino]cyclohexyl]acetyl]amino]-2-(3-tert-butoxycarbonyl-2-methoxy-phenyl)ethyl]boronic acid (-)-pinanediolato diester 
• 1613269-66-1 [(1S)-1-[bis(trimethylsilyl)amino]-2-(3-tert-butoxycarbonyl-2-methoxy-phenyl)ethyl]boronic acid (-) pinandiolato diester 
• 1155425-68-5 2-methoxy-3-(2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0^2,6]dec-4-ylmethyl)-benzoic acid tert-butyl ester 
• 1613269-49-0 tert-butyl 3-((2S)-2-chloro-2-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)ethyl)-2-methoxybenzoate 
• 1256336-53-4 3-[(2R)-2-[bis(trimethylsilyl)amino]-2-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]ethyl]-2-methoxy-benzoic acid 1,1-dimethylethyl ester 

Relevant articles and documents

BETA-LACTAMASE INHIBITORS

Described herein are compounds and compositions that modulate the activity of beta-lactamases. In some embodiments, the compounds described herein inhibit beta-lactamase. In certain embodiments, the compounds described herein are useful in the treatment of bacterial infections.

First general, direct, and regioselective synthesis of substituted methoxybenzoic acids by ortho metalation

(Chemical Equation Presented) New general methodology of value in aromatic chemistry based on ortho-metalation sites in o-, m-, and p-anisic acids (1-3) (Scheme 1) is described. The metalation can be selectively directed to either of the ortho positions by varying the base, metalation temperature, and exposure times. Metalation of o-anisic acid (1) with s-BuLi/TMEDA in THF at -78°C occurs exclusively in the position adjacente to the carboxylate. On the other hand, a reversal of regioselectivity is observed with n-BuLi/t-BuOK. With LTMP at 0°C, the two directors of m-anisic acid (2) function in concert to direct introduction of the metal between them while n-BuLi/t-BuOK removes preferentially the proton located ortho to the methoxy and para to the carboxylate (H-4). s-BuLi/TMEDA reacts with p-anisic acid (3) exclusively in the vicinity of the carboxylate. According to these methodologies, routes to very simple methoxybenzoic acids with a variety of functionalities that are not easily accessible by other means have been developed (Table 1).