4-Propylphenylboronic acid

Base Information

• Chemical Name: 4-Propylphenylboronic acid
• CAS No.: 134150-01-9
• Molecular Formula: C9BH13O2
• Molecular Weight: 164.012
• Hs Code.: 29319090
• European Community (EC) Number: 603-797-9
• DSSTox Substance ID: DTXSID00399320
• Nikkaji Number: J1.844.859I
• Wikidata: Q72502929
• ChEMBL ID: CHEMBL1952295
• Mol file: 134150-01-9.mol

Synonyms:4-Propylphenylboronic acid;134150-01-9;(4-propylphenyl)boronic Acid;4-(Propyl)benzeneboronic acid;4-Propylphenylboronicacid;4-propylbenzeneboronic acid;Boronic acid, (4-propylphenyl)-;CHEMBL1952295;MFCD00859261;4-Propylphenyl boronic acid;4-N-PROPYLPHENYLBORONIC ACID;4-Propylphenylboranic acid;4-propyl phenylboronic acid;4-n-Propyl Benzoboric Acid;p-n-propylphenyl boronic acid;SCHEMBL257735;4-n-propyl-phenyl boronic acid;DTXSID00399320;WLCGYIWOKVWFLB-UHFFFAOYSA-N;BCP22762;C9 H13 B O2;BDBM50364282;AKOS004116362;AB07462;BCP9000144;CS-W016096;DS-0669;AC-24817;AM803163;BP-11441;SY021200;FT-0601421;EN300-117472;J-006491;Z336079950

Chemical Property of 4-Propylphenylboronic acid

Chemical Property:

• Appearance/Colour: white or off-white powder
• Vapor Pressure: 0.000542mmHg at 25°C
• Melting Point: 89-97 °C(lit.)
• Refractive Index: 1.516
• Boiling Point: 299.1 °C at 760 mmHg
• PKA: 8.71±0.10(Predicted)
• Flash Point: 134.7 °C
• PSA: 40.46000
• Density: 1.05 g/cm³
• LogP: 0.31890
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.1008598
• Heavy Atom Count: 12
• Complexity: 120

Purity/Quality:

99%, ^*data from raw suppliers

4-Propylphenylboronic 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=C(C=C1)CCC)(O)O
• Uses: Reactant for:Palladium/carbon-catalyzed Suzuki coupling reactionsPreparation of biologically and pharmacologically active molecules Intermediates of Liquid Crystals suzuki reaction

Technology Process of 4-Propylphenylboronic acid

There total 11 articles about 4-Propylphenylboronic 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: 32.0%

p-bromo-n-propylbenzene (588-93-2) → 4-propylphenylboric acid (134150-01-9)

Guidance literature:

With Trimethyl borate; iodine; magnesium; In tetrahydrofuran; at -78 - 20 ℃; for 2.66667h; Heating / reflux;

Reference yield:

Trimethyl borate (121-43-7,63156-11-6) + 1-bromopropylbenzene (2114-36-5,101308-38-7) → 4-propylphenylboric acid (134150-01-9)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; methanol; diethyl ether;

Reference yield:

Trimethyl borate (121-43-7,63156-11-6) + p-bromo-n-propylbenzene (588-93-2) → 4-propylphenylboric acid (134150-01-9)

Guidance literature:

p-bromo-n-propylbenzene; With magnesium;

Trimethyl borate;

With hydrogenchloride; In water;

upstream raw materials:

p-bromo-n-propylbenzene

Trimethyl borate

1-bromopropylbenzene

n-butyllithium

Downstream raw materials:

2-(4-propylphenyl)-5,5-dimethyl[1,3,2]dioxaborinane

C₂₉H₃₃N₃O₃

C₁₆H₁₈O₃

4-propyl-1,1'-biphenyl

Refernces

• 1、 Deeg, Oliver,Baeurle, Peter. "Combinatorial organic materials research (COMR): design, synthesis and screening of a 225-membered materials library of liquid crystalline fluorinated p-quaterphenyls". . p. 1609 - 1624. Retrieved 2007/10/03.
• 2、 -. "Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin". . . Retrieved 2008/06/13.