(4-Cyano-2-methylphenyl)boronic acid

Base Information

Chemical Name:(4-Cyano-2-methylphenyl)boronic acid
CAS No.:313546-18-8
Molecular Formula:C8H8BNO2
Molecular Weight:160.968
Hs Code.:2931900090
European Community (EC) Number:815-609-4
DSSTox Substance ID:DTXSID10584927
Wikidata:Q72489613
Mol file:313546-18-8.mol

Synonyms:313546-18-8;(4-Cyano-2-methylphenyl)boronic acid;2-Methyl-4-cyanophenylboronic acid;4-CYANO-2-METHYLPHENYLBORONIC ACID;(4-Cyano-2-methyl-phenyl)boronic acid;MFCD09750473;dimethylazelate;Boronic acid, (4-cyano-2-methylphenyl)-;(4-Cyano-2-methylphenyl)boronicacid;SCHEMBL1277292;DTXSID10584927;RGCVYEOTYJCNOS-UHFFFAOYSA-N;AMY32705;AKOS015842345;AB51409;AS-55569;SY029512;2-Methyl-4-cyanophenylboronic acid, >=95%;CS-0044996;EN300-317056;H11811;A858391;2-Methyl-4-cyanophenylboronic acid(contains varying amounts of Anhydride)

Suppliers and Price of (4-Cyano-2-methylphenyl)boronic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
(4-Cyano-2-methylphenyl)boronicAcid
500mg
$ 110.00

Synthonix
(4-Cyano-2-methylphenyl)boronicacid 97%
1g
$ 90.00

Synthonix
(4-Cyano-2-methylphenyl)boronicacid 97%
5g
$ 220.00

Sigma-Aldrich
2-Methyl-4-cyanophenylboronic acid ≥95%
1g
$ 99.80

Sigma-Aldrich
2-Methyl-4-cyanophenylboronic acid ≥95%
5g
$ 438.00

Labseeker
2-Methyl-4-cyanophenylboronic acid 95
5g
$ 900.00

Crysdot
(4-Cyano-2-methylphenyl)boronicacid 95+%
5g
$ 277.00

Chemenu
(4-Cyano-2-methylphenyl)boronicacid 95+%
100g
$ 1104.00

AOBChem
4-Cyano-2-methylphenylboronic acid 95%
100g
$ 2391.00

AOBChem
4-Cyano-2-methylphenylboronic acid 95%
50g
$ 1496.00

Total 31 raw suppliers

Chemical Property of (4-Cyano-2-methylphenyl)boronic acid

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:280 ºC
Refractive Index:1.551
Boiling Point:376.106 °C at 760 mmHg
PKA:7.46±0.58(Predicted)
Flash Point:181.263 °C
PSA：64.25000
Density:1.209 g/cm³
LogP:-0.45352
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:1
Exact Mass:161.0648087
Heavy Atom Count:12
Complexity:199

Purity/Quality:

99%, ^*data from raw suppliers

(4-Cyano-2-methylphenyl)boronicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:B(C1=C(C=C(C=C1)C#N)C)(O)O
Uses Reactant involved in:Reactions with (cyanomethylphenyl)boronic acidSynthesis of oligo-boronic acid receptors with improved structural and electronic propertiesSyntesis of aminoalkoxybiphenylnitriles for use as histamine-3 receptor ligands

Technology Process of (4-Cyano-2-methylphenyl)boronic acid

There total 1 articles about (4-Cyano-2-methylphenyl)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:

: 41963-20-6
4-bromo-3-methylbenzonirtile

: 313546-18-8
(4-cyano-2-methylphenyl)boronic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-BuLi / tetrahydrofuran; hexane / 0.25 h / -98 °C

1.2: tetrahydrofuran; hexane / 3.5 h / -98 - 20 °C

2.1: 0.63 g / aq. HCl / diethyl ether

With hydrogenchloride; n-butyllithium; In tetrahydrofuran; diethyl ether; hexane;
DOI:10.1002/chem.200305400

Reference yield: 100.0%

: 6-(4-bromo-5-methoxy-1H-pyrazol-1-yl)-N-((tetrahydro-2H-pyran-4-yl)methyl)nicotinamide

: 313546-18-8
(4-cyano-2-methylphenyl)boronic acid

: 6-(4-(4-cyano-2-methylphenyl)-5-methoxy-1H-pyrazol-1-yl)-N-((tetrahydro-2H-pyran-4-yl)methyl)nicotinamide

Guidance literature:: With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium carbonate; In 1,4-dioxane; water; at 110 ℃; for 1h; Inert atmosphere; Microwave irradiation;