2-(1,3,2-Dioxaborinan-2-yl)benzonitrile

Base Information Edit

Chemical Name:2-(1,3,2-Dioxaborinan-2-yl)benzonitrile
CAS No.:172732-52-4
Molecular Formula:C10H10BNO2
Molecular Weight:187.006
Hs Code.:2934999090
DSSTox Substance ID:DTXSID80393361
Nikkaji Number:J1.762.204H
Wikidata:Q72458791
Mol file:172732-52-4.mol

Synonyms:172732-52-4;2-(1,3,2-dioxaborinan-2-yl)benzonitrile;2-Cyanophenylboronic acid 1,3-propanediol ester;Benzonitrile, 2-(1,3,2-dioxaborinan-2-yl)-;2-CYANOPHENYLBORONIC ACID, 1,3-PROPANEDIOL CYCLIC ESTER;2-Cyanophenylboronic acid propanediol ester;MFCD04039012;2-(1,3,2-Dioxaborinane-2-yl)benzonitrile;2-CYANOBENZENEBORONIC ACID 1,3-PROPANEDIOL ESTER;2-(2-Cyanophenyl)-1,3,2-dioxaborinane;SCHEMBL687490;2-Cyanophenylboronic acid 13-propanediol cyclic ester;DTXSID80393361;REQZFVYFYAZUMG-UHFFFAOYSA-N;BCP11356;AKOS004116216;AB17250;CS-W000883;7-Amino-2,4-difluoro-9H-fluoren-9-one;AC-33890;AS-18695;SY051086;C2993;FT-0688804;Benzonitrile,2-(1,3,2-dioxaborinan-2-yl)-;2-Cyanophenylboronic acid1,3-propanediol ester;2-cyanophenyl boronicacid 1,3-propanediol ester;A851850;J-010845;2-Cyanophenylboronic acid 1,3-propanediol ester, 96%;2-Cyanophenylboronic acid 1,3-propanediol cyclic ester;2-CYANOPHENYLBORONIC ACID-1,3-PROPANEDIOL CYCLIC ESTER;(2-CYANOPHENYL)BORONIC ACID, 1,3-PROPANEDIOL CYCLIC ESTER;2-(1,3,2-Dioxaborolan-2-yl)benzonitrile, 2-Cyanophenylboronic acid propanediol ester

Suppliers and Price of 2-(1,3,2-Dioxaborinan-2-yl)benzonitrile

Supply Marketing:Edit

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
2-(2-Cyanophenyl)-1,3,2-dioxaborinane
5g
$ 135.00

TCI Chemical
2-Cyanophenylboronic Acid 1,3-Propanediol Ester >97.0%(GC)
5g
$ 126.00

TCI Chemical
2-Cyanophenylboronic Acid 1,3-Propanediol Ester >97.0%(GC)
1g
$ 42.00

SynQuest Laboratories
2-Cyanobenzeneboronic acid propane-1,3-diol cyclic ester
1 g
$ 21.00

Sigma-Aldrich
2-Cyanophenylboronic acid 1,3-propanediol ester 96%
1g
$ 54.20

ChemSupplyAustralia
2-Cyanobenzeneboronic acid 1,3-propanediol ester, 98%
1 g
$ 93.50

ChemScene
2-(1,3,2-Dioxaborinan-2-yl)benzonitrile
100g
$ 305.00

ChemScene
2-(1,3,2-Dioxaborinan-2-yl)benzonitrile
25g
$ 104.00

ChemScene
2-(1,3,2-Dioxaborinan-2-yl)benzonitrile
10g
$ 52.00

Chem-Impex
2-Cyanophenylboronicacid1,3-propanediolester,98% 98%
1G
$ 56.00

Total 116 raw suppliers

Chemical Property of 2-(1,3,2-Dioxaborinan-2-yl)benzonitrile Edit

Chemical Property:

Vapor Pressure:9.63E-06mmHg at 25°C
Melting Point:46-56 °C(lit.)
Refractive Index:1.519
Boiling Point:372.4 °C at 760 mmHg
Flash Point:179 °C
PSA：42.25000
Density:1.13 g/cm³
LogP:0.69038
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
Solubility.:Chloroform (Slightly), Methanol (Slightly)
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:187.0804587
Heavy Atom Count:14
Complexity:232

Purity/Quality:

98% ^*data from raw suppliers

2-(2-Cyanophenyl)-1,3,2-dioxaborinane ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 20/21/22-36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B1(OCCCO1)C2=CC=CC=C2C#N
Uses 2-(2-Cyanophenyl)-1,3,2-dioxaborinane is used in the synthesis of AMPA receptor antagonists in the treatment of neurological diseases causing dysfunction of glutamatergic neurotransmission. Also used in the small scale synthesis of Perampanel (P285520), an AMPA receptor antagonist.

Technology Process of 2-(1,3,2-Dioxaborinan-2-yl)benzonitrile

There total 4 articles about 2-(1,3,2-Dioxaborinan-2-yl)benzonitrile 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: 100.0%

: 172732-52-4
o-cyanophenylboronic acid-1,3-propylene glycol ester

Guidance literature:

Reference yield: 82.4%

: 138642-62-3
2-Cyanophenylboronic acid

: 504-63-2
trimethyleneglycol

: 172732-52-4
o-cyanophenylboronic acid-1,3-propylene glycol ester

Guidance literature:: at 20 ℃; for 1h;

Reference yield:

: 100-47-0
benzonitrile

: 172732-52-4
o-cyanophenylboronic acid-1,3-propylene glycol ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: lithium chloride; n-butyllithium / tetrahydrofuran; hexane / -10 °C / Inert atmosphere

1.2: -50 °C / Inert atmosphere

1.3: Inert atmosphere

2.1: 1 h / 20 °C

With n-butyllithium; lithium chloride; In tetrahydrofuran; hexane;