Ethyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarboxylate

Base Information

• Chemical Name: Ethyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarboxylate
• CAS No.: 1257213-52-7
• Molecular Formula: C18H25BO4
• Molecular Weight: 316.205
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40682283
• Mol file: 1257213-52-7.mol

Synonyms:1257213-52-7;Ethyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarboxylate;Ethyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate;ethyl 1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate;4-(1-Ethoxycarbonylcyclopropyl)phenylboronic acid, pinacol ester;MFCD18383419;C18H25BO4;SCHEMBL1514;DTXSID40682283;AMY23584;BCP08575;AKOS015999424;CS-W000622;DS-17706;SY096970;FT-0753589;P12358;A889977;4-(1-Ethoxycarbonylcyclopropyl)phenylboronic acid,pinacol ester;4-[1-(Ethoxycarbonyl)cyclopropyl]phenylboronic Acid Pinacol Ester;(4-(1-(ETHOXYCARBONYL)CYCLOPROPYL)PHENYL)BORONIC ACID PINACOL ESTER;ethyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-cyclopropanecarboxylate;1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclopropanecarboxylic acid ethyl ester;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl]cyclopropanecarboxylic acid ethyl ester;Cyclopropanecarboxylic acid, 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, ethyl ester;ETHYL1-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)CYCLOPROPANECARBOXYLATE

Chemical Property of Ethyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarboxylate

Chemical Property:

• Boiling Point: 400.6±38.0 °C(Predicted)
• PSA: 44.76000
• Density: 1.10±0.1 g/cm3(Predicted)
• LogP: 2.58050
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 316.1845894
• Heavy Atom Count: 23
• Complexity: 446

Purity/Quality:

99%, ^*data from raw suppliers

4-(1-Ethoxycarbonylcyclopropyl)phenylboronicAcid,PinacolEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(CC3)C(=O)OCC
• Uses: 4-(1-Ethoxycarbonylcyclopropyl)phenylboronic acid, pinacol ester is a reagent used in the preparation of triazolone compounds as PPARα antagonists useful in the treatment of cancer and viral infections.

Technology Process of Ethyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarboxylate

There total 3 articles about Ethyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarboxylate 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-Bromophenylacetonitrile (16532-79-9) → 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylic acid ethyl ester (1257213-52-7)

Guidance literature:

Multi-step reaction with 4 steps

1.1: potassium hydroxide; tetrabutylammomium bromide / toluene; water / 2.17 h / 20 °C

2.1: potassium hydroxide / ethylene glycol / 4 h / 180 °C

2.2: Acidic conditions

3.1: sulfuric acid / 1 h / 75 °C

4.1: potassium acetate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 2 h / 80 °C / Inert atmosphere

With sulfuric acid; tetrabutylammomium bromide; potassium acetate; potassium hydroxide; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane; water; ethylene glycol; toluene;

Reference yield:

1-(4-bromophenyl)cyclopropanecarbonitrile (124276-67-1) → 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylic acid ethyl ester (1257213-52-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: potassium hydroxide / ethylene glycol / 4 h / 180 °C

1.2: Acidic conditions

2.1: sulfuric acid / 1 h / 75 °C

3.1: potassium acetate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 2 h / 80 °C / Inert atmosphere

With sulfuric acid; potassium acetate; potassium hydroxide; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane; ethylene glycol;

Reference yield:

1-(4-bromophenyl)cyclopropanecarboxylic acid (345965-52-8) → 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylic acid ethyl ester (1257213-52-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / 1 h / 75 °C

2: potassium acetate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 2 h / 80 °C / Inert atmosphere

With sulfuric acid; potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane;

upstream raw materials:

4-Bromophenylacetonitrile

1-(4-bromophenyl)cyclopropanecarbonitrile

1-(4-bromophenyl)cyclopropanecarboxylic acid

Downstream raw materials:

ethyl 1-(4'-(4-amino-3-methylisoxazol-5-yl)-[1,1'-biphenyl]-4-yl)cyclopropanecarboxylate

1-{4'-[3-Methyl-4-(6-phenyl-pyridin-2-ylamino)-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester

1-[4'-(4-tert-Butoxycarbonylamino-3-methyl-isoxazol-5-yl)-biphenyl-4-yl]-cyclopropanecarboxylic acid ethyl ester

1-{4'-[3-Methyl-4-(3-phenyl-butylamino)-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid

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