1-Isopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Base Information

Chemical Name:1-Isopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No.:777063-41-9
Molecular Formula:C14H25 B N2 O2
Molecular Weight:264.176
Hs Code.:2934999090
European Community (EC) Number:675-019-6
DSSTox Substance ID:DTXSID90374929
Nikkaji Number:J2.138.998F
Wikidata:Q82163499
Mol file:777063-41-9.mol

Synonyms:777063-41-9;1-Isopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-(3-methylbutyl)-1h-pyrazole-4-boronic acid, pinacol ester;1-(3-methylbutyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-(3-METHYLBUTYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE;1-ISOPENTYLPYRAZOLE-4-BORONIC ACID, PINACOL ESTER;1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid pinacol ester;1-(3-methylbutyl)-1h-pyrazole-4-boronic acid,pinacol ester;1H-Pyrazole, 1-(3-methylbutyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-;SCHEMBL520617;DTXSID90374929;(1-ISOPENTYL-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER;MFCD05663867;AKOS004910746;AB21982;AM90124;AS-72806;CS-0135271;FT-0732433;A839168;J-503163;F2147-6948;1-(3-Methyl-butyl)-1H-pyrazole-4-boronic acid, pinacol ester;1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid, pinacol ester, AldrichCPR;1-(3-methylbutyl)-4-(4,4,5,5-tetramethyl)-1,3,2-dioxaborolan-2-yl-1h-pyrazole;1-(3-Methylbutyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1H-pyrazole;2-[1-(3-Methylbutyl)-1H-pyrazole-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Suppliers and Price of 1-Isopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

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
1-Isopentylpyrazole-4-boronicacid,pinacolester
250mg
$ 60.00

SynQuest Laboratories
1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid, pinacol ester
5 g
$ 604.00

SynQuest Laboratories
1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid, pinacol ester
1 g
$ 183.00

Sigma-Aldrich
1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid, pinacol ester Aldrich
1g
$ 140.00

Crysdot
1-Isopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 95+%
10g
$ 452.00

Chemenu
1-(3-Methylbutyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 95+%
5g
$ 144.00

American Custom Chemicals Corporation
1-(3-METHYLBUTYL)-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER 95.00%
5G
$ 1255.20

American Custom Chemicals Corporation
1-(3-METHYLBUTYL)-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER 95.00%
1G
$ 329.70

Alichem
1-Isopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
10g
$ 451.44

Alichem
1-Isopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
5g
$ 291.20

Total 23 raw suppliers

Chemical Property of 1-Isopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Chemical Property:

Vapor Pressure:3.94E-05mmHg at 25°C
Boiling Point:362.8°C at 760 mmHg
PKA:2.11±0.10(Predicted)
Flash Point:173.2°C
PSA：36.28000
Density:1.01g/cm³
LogP:2.22840
Storage Temp.:2-8°C
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:264.2009082
Heavy Atom Count:19
Complexity:305

Purity/Quality:

97% ^*data from raw suppliers

1-Isopentylpyrazole-4-boronicacid,pinacolester ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCC(C)C

Technology Process of 1-Isopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

There total 4 articles about 1-Isopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 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: 88.0%

: 76-09-5
2,3-dimethyl-2,3-butane diol

: 847818-58-0
1-(3-methylbutyl)-1H-pyrazol-4-ylboronic acid

: 777063-41-9
1-(3-methylbutyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Guidance literature:: With 4 A molecular sieve; In tetrahydrofuran; at 20 ℃; for 2h;
DOI:10.1002/jhet.5570410612

Reference yield:

: 269410-08-4
pyrazole-4-boronic acid pinacol ester

: 107-82-4
i-pentyl bromide

: 777063-41-9
1-(3-methylbutyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Guidance literature:: With caesium carbonate; In acetonitrile; Inert atmosphere;
DOI:10.1021/jm901044z

Reference yield:

: 107-82-4
i-pentyl bromide

: 777063-41-9
1-(3-methylbutyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Guidance literature:: Multi-step reaction with 3 steps

1.1: 85 percent / KOH / ethanol / 1.5 h / 78 °C

2.1: n-butyllithium / tetrahydrofuran; hexane / 1 h / -90 °C

2.2: trimethylborate / tetrahydrofuran; hexane / 0.5 h / -70 °C

2.3: 41 percent / aq. ammonium chloride / tetrahydrofuran; hexane / 1 h / 20 °C

3.1: 88 percent / molecular sieves 4 Angstroem / tetrahydrofuran / 2 h / 20 °C

With potassium hydroxide; n-butyllithium; 4 A molecular sieve; In tetrahydrofuran; ethanol; hexane;
DOI:10.1002/jhet.5570410612