(5-Ethoxy-2,4-difluorophenyl)boronic acid

Base Information

• Chemical Name: (5-Ethoxy-2,4-difluorophenyl)boronic acid
• CAS No.: 900175-12-4
• Molecular Formula: C8H9BF2O3
• Molecular Weight: 201.9630664
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID30681740
• Wikidata: Q82605879
• Mol file: 900175-12-4.mol

Synonyms:900175-12-4;(5-Ethoxy-2,4-difluorophenyl)boronic acid;5-ETHOXY-2,4-DIFLUOROPHENYLBORONIC ACID;2,4-Difluoro-5-ethoxyphenylboronic acid;(5-Ethoxy-2,4-difluorophenyl)boronicacid;SCHEMBL2916070;DTXSID30681740;POUSZLWTMJIPDF-UHFFFAOYSA-N;MFCD18783133;AKOS015999466;BS-33074;CS-0174926;E91682;A860934

Chemical Property of (5-Ethoxy-2,4-difluorophenyl)boronic acid

Chemical Property:

• PSA: 49.69000
• LogP: 0.04330
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 202.0612806
• Heavy Atom Count: 14
• Complexity: 182

Purity/Quality:

97% ^*data from raw suppliers

5-Ethoxy-2,4-difluorophenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=C(C=C1F)F)OCC)(O)O
• Uses: 5-Ethoxy-2,4-difluorophenylboronic acid

Technology Process of (5-Ethoxy-2,4-difluorophenyl)boronic acid

There total 1 articles about (5-Ethoxy-2,4-difluorophenyl)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:

C10H13BF2O3 → 5-ethoxy-2,4-difluorophenylboronic acid (900175-12-4)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; hexane;

Reference yield: 43.0%

5-ethoxy-2,4-difluorophenylboronic acid (900175-12-4) + imidodicarbonic acid 2-(6-amino-1-isoquinolinyl)-1,3-bis(1,1-dimethylethyl)ester (745020-22-8) + Glyoxilic acid (298-12-4) → 2-(1-di-tert-butoxycarbonylaminoisoquinolin-6-ylamino)-2-(2,4-difluoro-5-ethoxyphenyl)acetic acid (900175-13-5)

Guidance literature:

In N,N-dimethyl-formamide; acetonitrile; at 85 ℃; for 0.5h; Microwave irradiation;

Reference yield:

5-ethoxy-2,4-difluorophenylboronic acid (900175-12-4) → C44H53F2N5O10S (1520082-90-9)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide; acetonitrile / 0.25 h / 105 °C / Microwave irradiation; Inert atmosphere

2: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine / 20 °C / Inert atmosphere

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; acetonitrile;

DOI:10.1021/ml400453z

Downstream raw materials:

2-(1-di-tert-butoxycarbonylaminoisoquinolin-6-ylamino)-2-(2,4-difluoro-5-ethoxyphenyl)acetic acid

C₄₄H₅₃F₂N₅O₁₀S

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