3-Isopropoxyphenylboronic acid

Base Information

• Chemical Name: 3-Isopropoxyphenylboronic acid
• CAS No.: 216485-86-8
• Molecular Formula: C₉H₁₃BO₃
• Molecular Weight: 180.011
• Hs Code.: 29163990
• European Community (EC) Number: 692-706-6
• DSSTox Substance ID: DTXSID90408157
• Nikkaji Number: J2.338.942H
• Wikidata: Q72485618
• Mol file: 216485-86-8.mol

Synonyms:3-Isopropoxyphenylboronic acid;216485-86-8;(3-Isopropoxyphenyl)boronic acid;(3-propan-2-yloxyphenyl)boronic Acid;3-ISOPROPOXYBENZENEBORONIC ACID;3-Isopropoxyphebylboronic acid;MFCD03701512;3-ISOPROPOXYPHENYLBORONICACID;[3-(propan-2-yloxy)phenyl]boronic acid;3-(1-METHYLETHOXY)PHENYLBORONIC ACID;3-(1-METHYLETHYL)OXYPHENYLBORONIC ACID;SCHEMBL7998;5-isopropoxyphenylboronic acid;3-Isopropoxyphenbylboronic acid;3-Isopropoxy Phenyl Boronic Acid;DTXSID90408157;UKZVUHVNTYDSOP-UHFFFAOYSA-N;AKOS004113740;AB15772;CS-W008010;NCGC00249552-01;DS-13613;SY021196;AM20060548;FT-0643991;I0984;EN300-1262829;A815577;J-512722;Z381513348;3-Isopropoxyphenylboronic Acid (contains varying amounts of Anhydride)

Chemical Property of 3-Isopropoxyphenylboronic acid

Chemical Property:

• Vapor Pressure: 6.2E-05mmHg at 25°C
• Melting Point: 76-81 °C(lit.)
• Refractive Index: 1.511
• Boiling Point: 331.5 °C at 760 mmHg
• PKA: 8.24±0.10(Predicted)
• Flash Point: 154.3 °C
• PSA: 49.69000
• Density: 1.1 g/cm³
• LogP: 0.15360
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.0957744
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

3-Isopropoxyphenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

Useful:

• Canonical SMILES: B(C1=CC(=CC=C1)OC(C)C)(O)O
• Uses: Reactant for synthesis of:Heteroaryl benzylureas with glycogen synthase kinase 3 (GSK-3) inhibitory activityModulators of survival motor neuron (SMN) proteinInhibitors of cholesteryl ester transfer protein (CETP)Selective sphingosine-1-phosphate receptor subtype-1 agonistsCytotoxic open lactone analogs of Lamellarin D suzuki reaction

Technology Process of 3-Isopropoxyphenylboronic acid

There total 1 articles about 3-Isopropoxyphenylboronic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-isopropoxyphenylboronic acid catechol ester → benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) + 3-isopropyloxyphenylboronic acid (216485-86-8)

Guidance literature:

With water;

DOI:10.1039/c9sc05640h

Reference yield: 91.0%

tert-butyl N-(5-bromo-4-{[diisopropoxyphosphorylmethoxy]ethyl}-1,3-thiazol-2-yl)carbamate + 3-isopropyloxyphenylboronic acid (216485-86-8) → 2-amino-4-[(diisopropoxyphosphorylmethoxy)ethyl]-5-[3-(propan-2-yloxy)phenyl]-1,3-thiazole

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; caesium carbonate; In 1,4-dioxane; water; at 80 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2021.113581

Reference yield: 82.0%

C25H32BrNO4 (1390665-75-4) + 3-isopropyloxyphenylboronic acid (216485-86-8) → C34H43NO5 (1390666-08-6)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 8h; Inert atmosphere;

DOI:10.1016/j.bmcl.2012.05.124

Downstream raw materials:

2,7-bis(3-isopropoxyphenyl)acridine

C₃₄H₄₃NO₅

2′-amino-6-(3-isopropoxyphenyl)-1′,2,2-trimethylspiro-[chroman-4,4′-imidazol]-5′(1′H)-one

7-(3-isopropoxyphenyl)-5-methyl-2-((4-(methylsulphonyl)piperazin-1-yl)methyl)thieno[3,2-c]pyridin-4(5H)-one

Refernces