99769-19-4

Basic information

• Product Name: 3-Methoxycarbonylphenylboronic acid
• Synonyms: METHYL 3-BORONOBENZOATE;3-METHOXYCARBONYLPHENYLBORONIC ACID;3-(METHOXYCARBONYL)BENZENEBORONIC ACID;AKOS BRN-0125;M-(METHOXYCARBONYL)PHENYLBORONIC ACID;3-METHOXYCARBONYLPHENYLBARONIC ACID;3-(Methoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride);3-Methoxycarbonylphenylboronic acid,97%
• CAS NO: 99769-19-4
• Molecular Formula: C₈H₉BO₄
• Molecular Weight: 179.97
• Product Categories: blocks;BoronicAcids;Carboxes;Acids and Derivatives;Boron, Nitrile, Thio,& TM-Cpds;Boronic acids;Aryl;Ester;Organoborons;B (Classes of Boron Compounds);Boronic acid;CHIRAL CHEMICALS;Aromatics;Boron Derivatives;Intermediates & Fine Chemicals;Pharmaceuticals;Boronate Ester;Potassium Trifluoroborate
• Mol File: 99769-19-4.mol
• Article Data: 8

Chemical Properties

• Melting Point: 205-208 °C(lit.)
• Boiling Point: 359.9 °C at 760 mmHg
• Flash Point: 171.5 °C
• Appearance: White to off-white/Powder
• Density: 1.25 g/cm³
• Vapor Pressure: 8.29E-06mmHg at 25°C
• Refractive Index: 1.532
• Storage Temp.: Refrigerator (+4°C)
• PKA: 7.74±0.10(Predicted)
• Water Solubility: Reacts with water.
• CAS DataBase Reference: 3-Methoxycarbonylphenylboronic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Methoxycarbonylphenylboronic acid(99769-19-4)
• EPA Substance Registry System: 3-Methoxycarbonylphenylboronic acid(99769-19-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26-36
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 99769-19-4(Hazardous Substances Data)

Usage

Chemical Properties

White to light yellow crystal powde

Uses

Different sources of media describe the Uses of 99769-19-4 differently. You can refer to the following data:
1. 3-Methoxycarbonylphenylboronic acid can be used in the preparation of substituted pyrazolylpyrimidinamine derivative for use as protein kinase inhibitors and suzuki reaction.
2. suzuki reaction
3. Reagent used for tandem-type Pd(II)-catalyzed oxidative Heck reaction and intramolecular C-H amidation sequence, copper-mediated ligandless aerobic fluoroalkylation of arylboronic acids with fluoroalkyl iodides, one-pot ipso-nitration of arylboronic acids, copper-catalyzed nitration, cyclocondensation followed by palladium-phosphine-catalyzed Suzuki-Miyaura coupling. Reagent used in Preparation of biaryls via nickel-catalyzed Suzuki-Miyaura cross-coupling reaction of aryl halides with arylboronic acid6, chromenones and their bradykinin B1 antagonistic active, Pt nanoparticles at Photoactive metal-organic frameworks resulting in efficient hydrogen evolution via synergistic photoexcitation and electron injecti, salicylate-based thienylbenzoic acids as E. coli methionine aminopeptidase inhibitor.

InChI:InChI=1/C8H9BO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5,11-12H,1H3

Upstream product

• 67-56-1 methanol 
• 25487-66-5 3-Carboxyphenylboronic acid 
• 4518-10-9 Methyl 3-aminobenzoate 
• 13675-18-8 tetrahydroxydiboron 
• 618-89-3 methyl 3-bromobenzoate 
• 2905-65-9 methyl 3-chlorobenzoate 
• 618-91-7 methyl 3-iodo-benzoate 

Downstream Products

• 554451-45-5 C₁₈H₁₅NO₂ 
• 107558-26-9 methyl 4'-nitro-[1,1'-biphenyl]-3-carboxylate 
• 876147-72-7 methyl 3-[3-(tert-butoxycarbonylamino)piperidin-1-yl]benzoate 
• 876148-48-0 C₂₀H₃₃NO₃Si 
• 1040282-04-9 C₂₁H₂₂O₇ 
• 603122-30-1 3-((7S)-7-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-tert-butyloxycarbonylamino}-5,6,7,8-tetrahydro-2-naphthalenyl)benzoic acid methyl ester 
• 603122-03-8 3-[((8S)-8-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-tert-butyloxycarbonylamino}-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-2-yl)oxy]benzoic acid methyl ester 
• 603121-98-8 3-[((7S)-7-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-tert-butyloxycarbonylamino}-5,6,7,8-tetrahydro-2-naphthalenyl)oxy]benzoic acid methyl ester 
• 1383481-04-6 3-{1-[3-({[(2,2,2-trifluoroethyl)amino]carbonyl}amino)phenyl]-1H-benzimidazol-5-yl}benzoic acid 
• 1242733-94-3 potassium (meta-methoxycarbonylphenyl)trifluoroborate 
• 1173923-12-0 1-(3-methoxycarbonylphenyl)-3-phenylimidazo[1,5-a]pyridine 
• 1127737-41-0 methyl 3'-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]biphenyl-3-carboxylate 
• 854777-65-4 methyl 4-{3-[3-phenyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy}benzoate 
• 591723-69-2 methyl 3-(5-formylfuran-2-yl)benzoate 

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The palladium-catalyzed borylation of aryl and heteroaryl halides with a novel borylating agent, tetrakis(dimethylamino)diboron [(Me2N) 2B-B(NMe2)2], is reported. The method is complementary to the previously reported method utilizing bis-boronic acid (BBA) in that certain substrates perform better under one set of optimized reaction conditions than the other. Because tetrakis(dimethylamino)diboron is the synthetic precursor to both BBA and bis(pinacolato)diboron (B 2Pin2), the new method represents a more atom-economical and efficient approach to current borylation methods.