4-Pentyloxyphenylboronic acid

Base Information

• Chemical Name: 4-Pentyloxyphenylboronic acid
• CAS No.: 146449-90-3
• Molecular Formula: C11H17BO3
• Molecular Weight: 208.065
• Hs Code.: 2942000000
• European Community (EC) Number: 834-832-8
• DSSTox Substance ID: DTXSID70405543
• Wikidata: Q72500286
• Mol file: 146449-90-3.mol

Synonyms:146449-90-3;4-Pentyloxyphenylboronic acid;(4-Pentyloxyphenyl)boronic acid;4-(pentyloxy)phenylboronic acid;(4-pentoxyphenyl)boronic Acid;4-(n-Pentyloxy)benzeneboronic acid;4-(n-pentyloxy)phenylboronic acid;MFCD04039035;Boronic acid, B-[4-(pentyloxy)phenyl]-;(4-Pentyloxyphenyl)boronic acid|;4-(N-PENTYLOXY)PHENYLBORONIC ACID;(4-Pentyloxyphenyl)boronicacid;Boronic acid, [4-(pentyloxy)phenyl]-;4-pentoxyphenylboronic acid;4-Amyloxyphenylboronic Acid;4-Amyloxybenzeneboronic Acid;4-pentoxy-phenylboronic acid;4-n-pentoxyphenylboronic acid;4-Pentyloxybenzeneboronic Acid;SCHEMBL1006706;4-n-Pentyloxybenzeneboronic acid;DTXSID70405543;WHFKSJLAGACWMF-UHFFFAOYSA-N;AMY18500;AKOS004116175;AB17294;PS-9736;SY042598;CS-0152128;FT-0658274;P2358;H11895;A808509;J-501461;(4-pentoxyphenyl)boronic acid;4-(Pentyloxy)phenylboronic Acid;4-Pentyloxyphenylboronic Acid (contains varying amounts of Anhydride)

Chemical Property of 4-Pentyloxyphenylboronic acid

Chemical Property:

• Appearance/Colour: off-white solid
• Melting Point: 98-100°C
• Boiling Point: 355.349 °C at 760 mmHg
• PKA: 8.71±0.16(Predicted)
• Flash Point: 168.71 °C
• PSA: 49.69000
• Density: 1.066 g/cm³
• LogP: 0.93540
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 208.1270746
• Heavy Atom Count: 15
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

(4-Pentyloxyphenyl)boronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=C(C=C1)OCCCCC)(O)O
• Uses: suzuki reaction

Technology Process of 4-Pentyloxyphenylboronic acid

There total 5 articles about 4-Pentyloxyphenylboronic 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: 96.6%

→ [4-(pentyloxy)phenyl]boronic acid (146449-90-3)

Guidance literature:

In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;

With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1.5h;

With Triisopropyl borate; In tetrahydrofuran; hexane;

Reference yield: 55.0%

1-bromo-4-pentyloxybenzene (30752-18-2) → [4-(pentyloxy)phenyl]boronic acid (146449-90-3)

Guidance literature:

1-bromo-4-pentyloxybenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 2.5h;

With Trimethyl borate; In tetrahydrofuran; hexane; at 20 ℃; for 8h;

With hydrogenchloride; water; In tetrahydrofuran; hexane; for 1h;

Reference yield:

4-n-pentoxyphenylboronic acid; 4-n-pentoxyphenylboronic acid cyclic anhydride; mixture of → [4-(pentyloxy)phenyl]boronic acid (146449-90-3)

Guidance literature:

4-n-pentoxyphenylboronic acid; 4-n-pentoxyphenylboronic acid cyclic anhydride; mixture of; With sodium hydroxide; water;

With hydrogenchloride; In water;

upstream raw materials:

1-bromo-4-pentyloxybenzene

4-bromo-phenol

Downstream raw materials:

4′′-(pentyloxy)-1,1′:4′,1′′-terphenyl-4-carboxylic acid

1,4-bis(4-pentyloxyphenyl)-6,7-dimethylanthraquinone

1,4-bis(4-n-pentyloxyphenyl)anthraquinone

4-nitro-4'-pentoxybiphenyl