(4-Chloro-3-propoxyphenyl)boronic acid

Base Information

• Chemical Name: (4-Chloro-3-propoxyphenyl)boronic acid
• CAS No.: 681292-77-3
• Molecular Formula: C9H12BClO3
• Molecular Weight: 214.456
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID40681670
• Wikidata: Q82605794
• Mol file: 681292-77-3.mol

Synonyms:681292-77-3;(4-Chloro-3-propoxyphenyl)boronic acid;4-CHLORO-3-PROPOXYPHENYLBORONIC ACID;(4-Chloro-3-propoxyphenyl)boronicacid;SCHEMBL4881084;DTXSID40681670;SKFGRQLMEUDMLM-UHFFFAOYSA-N;MFCD17015745;AKOS015850019;(4-chloro-3-propoxy-phenyl)boronic acid;BS-24447;CS-0175969

Chemical Property of (4-Chloro-3-propoxyphenyl)boronic acid

Chemical Property:

• PSA: 49.69000
• LogP: 0.80860
• Storage Temp.: Room temperature.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 214.0568021
• Heavy Atom Count: 14
• Complexity: 168

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-3-propoxyphenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=C(C=C1)Cl)OCCC)(O)O

Technology Process of (4-Chloro-3-propoxyphenyl)boronic acid

There total 1 articles about (4-Chloro-3-propoxyphenyl)boronic 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:

4-bromo-1-chloro-2-propoxybenzene (681292-76-2) → (4-chloro-3-propoxyphenyl)boronic acid (681292-77-3)

Guidance literature:

4-bromo-1-chloro-2-propoxybenzene; With n-butyllithium; Triisopropyl borate; In tetrahydrofuran; hexanes; at -78 - 20 ℃; for 8h;

With hydrogenchloride; In tetrahydrofuran; hexanes; water; at 20 ℃;

Reference yield:

(4-chloro-3-propoxyphenyl)boronic acid (681292-77-3) + N-[(6-amino-2-pyridyl)sulfonyl]-6-chloro-2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide → N-[(6-amino-2-pyridyl)sulfonyl]-6-(4-chloro-3-propoxy-phenyl)-2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃;

Reference yield:

2-amino-5-iodo-4-isopropyl-benzoic acid methyl ester (681292-74-0) + (4-chloro-3-propoxyphenyl)boronic acid (681292-77-3) → 6-(4-chloro-3-propoxy-phenyl)-7-isopropyl-2-methyl-3H-quinazolin-4-one

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium carbonate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / DMF (N,N-dimethyl-formamide); water / 16 h / 80 °C

2.1: hydrogenchloride / 1.75 h / 20 °C / Heating / reflux

2.2: 20 °C

With hydrogenchloride; sodium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In DMF (N,N-dimethyl-formamide); water;

upstream raw materials:

4-bromo-1-chloro-2-propoxybenzene

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