5985-24-0

Basic information

• Product Name: DIMETHYL 4-HYDROXYISOPHTHALATE
• Synonyms: 3-benzenedicarboxylicacid,4-hydroxy-dimethylester;4-HYDROXY-ISOPHTHALIC ACID DIMETHYL ESTER;DIMETHYL 4-HYDROXYISOPHTHALATE;RARECHEM AL BF 0932;NSC 109108;DiMethyl 4-hydroxysophthalate;1,3-Benzenedicarboxylicacid, 4-hydroxy-, 1,3-diMethyl ester;Methyl salicylate Related Compound A
• CAS NO: 5985-24-0
• Molecular Formula: C₁₀H₁₀O₅
• Molecular Weight: 210.18
• EINECS: 227-803-0
• Mol File: 5985-24-0.mol
• Article Data: 18

Chemical Properties

• Melting Point: 97 °C
• Boiling Point: 305℃
• Flash Point: 117℃
• Appearance: /
• Density: 1.284
• Vapor Pressure: 0.000472mmHg at 25°C
• Refractive Index: 1.544
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Acetonitrile (Slightly), Chloroform (Slightly)
• PKA: 8.15±0.18(Predicted)
• CAS DataBase Reference: DIMETHYL 4-HYDROXYISOPHTHALATE(CAS DataBase Reference)
• NIST Chemistry Reference: DIMETHYL 4-HYDROXYISOPHTHALATE(5985-24-0)
• EPA Substance Registry System: DIMETHYL 4-HYDROXYISOPHTHALATE(5985-24-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• Hazardous Substances Data: 5985-24-0(Hazardous Substances Data)

Usage

Uses

4-Hydroxy-isophthalic Acid Dimethyl Ester (cas# 5985-24-0) is a compound useful in organic synthesis.

InChI:InChI=1/C10H10O5/c1-14-9(12)6-3-4-8(11)7(5-6)10(13)15-2/h3-5,11H,1-2H3

Upstream product

• 186581-53-3 diazomethane 
• 636-46-4 4-hydroxyisophthalic acid 
• 67-56-1 methanol 
• 71043-33-9 methyl 2-methoxymethylene-3-oxobutanoate 
• 74828-41-4 3,3',5,5'-tetrakismethoxycarbonylglaucyrone 
• 181723-27-3 5-Acetyl-6'-hydroxy-6,2'-dioxo-6H,2'H-[2,3']bipyranyl-5'-carboxylic acid methyl ester 
• 121810-12-6 4-Oxo-5-phenylsulfanyl-cyclohexane-1,3-dicarboxylic acid dimethyl ester 
• 33890-03-8 4-aminoisophthalic acid 
• 7501-68-0 4-acetamidoisophthalic acid 
• 105-67-9 2,4-Xylenol 
• 327-76-4 4-chloro-α,α,α,α',α',α'-hexafluoro-m-xylene 
• 577-05-9 1-methoxy-2,4-bis-trifluoromethyl-benzene 
• 619-72-7 4-nitrobenzonitrile 
• 34133-58-9 4-hydroxy-isophthalonitrile 

Downstream Products

• 79128-78-2 2-hydroxy-5-(methoxycarbonyl)benzoic acid 
• 2937-60-2 2,4-bis(hydroxymethyl)phenol 
• 22633-33-6 methyl-3,5-dinitrosalicylate 
• 636-46-4 4-hydroxyisophthalic acid 
• 41684-11-1 4-hydroxy-3-(methoxycarbonyl)benzoic acid 
• 108129-45-9 4-hydroxy-isophthalic acid diamide 
• 63874-38-4 5-methoxycarbonylsalicylamide 
• 98953-42-5 4-hydroxy-isophthalic acid-3-hydrazide-1-methyl ester 
• 102541-30-0 5-chloro-4-hydroxy-isophthalic acid dimethyl ester 
• 54176-51-1 5-bromo-4-hydroxyisophthalic acid dimethyl ester 
• 22235-28-5 4-hydroxy-5-nitro-isophthalic acid dimethyl ester 
• 88-89-1 2,4,6-Trinitrophenol 
• 71932-29-1 4-acetoxy-isophthalic acid dimethyl ester 
• 100610-46-6 N-butyl-4-hydroxy-isophthalamic acid methyl ester 

Relevant articles and documents

Optimization of a Series of 2,3-Dihydrobenzofurans as Highly Potent, Second Bromodomain (BD2)-Selective, Bromo and Extra-Terminal Domain (BET) Inhibitors

Herein, a series of 2,3-dihydrobenzofurans have been developed as highly potent bromo and extra-terminal domain (BET) inhibitors with 1000-fold selectivity for the second bromodomain (BD2) over the first bromodomain (BD1). Investment in the development of two orthogonal synthetic routes delivered inhibitors that were potent and selective but had raised in vitro clearance and suboptimal solubility. Insertion of a quaternary center into the 2,3-dihydrobenzofuran core blocked a key site of metabolism and improved the solubility. This led to the development of inhibitor 71 (GSK852): a potent, 1000-fold-selective, highly soluble compound with good in vivo rat and dog pharmacokinetics.

4-hydroxyisophthalic acid derivative and synthesis method thereof

The invention discloses a 4-hydroxyisophthalic acid derivative and a synthesis method thereof, and belongs to the field of organic chemistry. The 4-hydroxyisophthalic acid derivative is a novel compound of a 5-bromo-4-hydroxyisophthalamide compound synthesized by using 4-hydroxyisophthalic acid as raw materials. According to the synthesis method, the derivative is prepared by using the 4-hydroxyisophthalic acid as raw materials through the steps of methyl esterification, bromination, hydrolysis, amidation and the like; the preparation method is simple; the compound structure is novel. Biological activity test shows that high tumor cell inhibitory activity is realized.

Tandem buildup of complexity of aromatic molecules through multiple successive electrophile generation in one pot, controlled by varying the reaction temperature

While some sequential electrophilic aromatic substitution reactions, known as tandem/domino/cascade reactions, have been reported for the construction of aromatic single skeletons, one of the most interesting and challenging possibilities remains the one-pot build-up of a complex aromatic molecule from multiple starting components, i.e., ultimately multi-component electrophilic aromatic substitution reactions. In this work, we show how tuning of the leaving group ability of phenolate derivatives from carbamates and esters provides a way to successively generate multiple unmasked electrophiles in a controlled manner in one pot, simply by varying the temperature. Here, we demonstrate the autonomous formation of up to three bonds in one pot and formation of two bonds arising from a three-component electrophilic aromatic substitution reaction. This result provides a proof-of-concept of our strategy applicable for the self-directed construction of complex aromatic structures from multiple simple molecules, which can be a potential avenue to realize multi-component electrophilic aromatic substitution reactions.