82998-57-0

Basic information

• Product Name: 3-Iodo-4-methylbenzoic acid
• Synonyms: TIMTEC-BB SBB003083;BENZOIC ACID, 3-IODO-4-METHYL;AKOS BBB/227;3-IODO-4-METHYLBENZOIC ACID;3-Iodo-4-Nitrobenzoic acid;3-Iodo-p-anisic acid;3-Iodo-p-toluicacid;3-Iodo-4-methylbenzoic acid,97%
• CAS NO: 82998-57-0
• Molecular Formula: C₈H₇IO₂
• Molecular Weight: 262.04
• Product Categories: Acids and Derivatives;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Carboxylic Acids;Phenyls & Phenyl-Het;Benzoic acid;Acids & Esters;Iodine Compounds;Carboxylic Acids;Phenyls & Phenyl-Het;C8;Carbonyl Compounds
• Mol File: 82998-57-0.mol
• Article Data: 4

Chemical Properties

• Melting Point: 210-212 °C(lit.)
• Boiling Point: 278.5°C (rough estimate)
• Flash Point: 168.6 °C
• Appearance: beige to brown crystalline powder
• Density: 1.7835 (estimate)
• Vapor Pressure: 1.16E-05mmHg at 25°C
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility: Soluble in methanol.
• PKA: 4.02±0.10(Predicted)
• Sensitive: Light Sensitive
• BRN: 2436216
• CAS DataBase Reference: 3-Iodo-4-methylbenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Iodo-4-methylbenzoic acid(82998-57-0)
• EPA Substance Registry System: 3-Iodo-4-methylbenzoic acid(82998-57-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-24/25
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 82998-57-0(Hazardous Substances Data)

Usage

Uses

3-Iodo-4-methylbenzoic acid has been used in the preparation of unlabeled N-succinimidyl 4-guanidinomethyl-3-iodobenzoate (SGIMB) and boc-protected derivative of SGIMB (Boc-SGMIB).

InChI:InChI=1/C8H7IO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)/p-1

Upstream product

• 56-23-5 tetrachloromethane 
• 7664-93-9 sulfuric acid 
• 7553-56-2 iodine 
• 99-94-5 p-Toluic acid 
• 90347-66-3 methyl 3-iodo-4-methylbenzoate 
• 60710-80-7 5-cyano-2-methylaniline 
• 2458-12-0 3-amino-p-toluic acid 
• 42872-79-7 3-iodo-4-methylbenzonitrile 
• 96-98-0 4-methyl-3-nitrobenzoic acid 

Downstream Products

• 1829-22-7 2-iodo-1,4-benzenedicarboxylic acid 
• 81217-08-5 3-iodo-4-methylbenzoic acid antipyrylamide 
• 90347-66-3 methyl 3-iodo-4-methylbenzoate 
• 1019327-29-7 4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoyl chloride 
• 882678-81-1 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(3-(trifluoromethyl)phenyl)benzamide 
• 913067-77-3 4-methyl-N-(2-methyl-3-(trifluoromethyl)phenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide 
• 882678-70-8 N-(4-chloro-3-(trifluoromethyl)phenyl)-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide 
• 913067-80-8 4-methyl-N-(4-(1-methylpiperidin-4-yloxy)phenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide 
• 913067-81-9 N-(4-chloro-2-methyl-3-(trifluoromethyl)phenyl)-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide 
• 913067-87-5 N-(2-(3,3-dimethyl-2-oxoazetidin-1-yl)-5-(trifluoromethyl)phenyl)-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide 
• 913067-84-2 4-methyl-N-(2-(3-methyl-2-oxoimidazolidin-1-yl)-5-(trifluoromethyl)phenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide 
• 913067-83-1 4-methyl-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide 

Relevant articles and documents

COMPOUNDS FOR THE TREATMENT OF HEPATITIS C

The disclosure provides ten specific compounds with a basic structure of pyrazolo [1, 5-a] pyridine, including their salts, as well as compositions and methods of using the compounds. The compounds have activity against hepatitis C virus (HCV) and may be useful in treating those infected with HCV.

Discovery of N-(3-(morpholinomethyl)-phenyl)-amides as potent and selective CB2 agonists

Recently sulfamoyl benzamides were identified as a novel series of cannabinoid receptor ligands. Replacing the sulfonamide functionality and reversing the original carboxamide bond led to the discovery of N-(3-(morpholinomethyl)-phenyl)-amides as potent and selective CB2 agonists. Selective CB2 agonist 31 (Ki = 2.7; CB1/CB2 = 190) displayed robust activity in a rodent model of postoperative pain.