1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid

Base Information

Chemical Name:1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid
CAS No.:847818-58-0
Molecular Formula:C₈H₁₅BN₂O₂
Molecular Weight:182.03
Hs Code.:2933199090
DSSTox Substance ID:DTXSID50465387
Wikidata:Q82291270
Mol file:847818-58-0.mol

Synonyms:847818-58-0;(1-Isopentyl-1H-pyrazol-4-yl)boronic acid;1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid;1-Isopentylpyrazole-4-boronic acid;[1-(3-methylbutyl)pyrazol-4-yl]boronic Acid;C8H15BN2O2;SCHEMBL1128873;1-isoamylpyrazole-4-boronic acid;DTXSID50465387;RFMLXEBQNNMUHX-UHFFFAOYSA-N;4-ETHYLBENZOICACIDETHYLESTER;MFCD07781209;AKOS006346729;1-Isopentyl-1H-pyrazol-4-ylboronic acid;BS-22439;(1-Isopentyl-1H-pyrazol-4-yl)boronicacid;CS-0173871;FT-0690536;A863991;J-500203;Boronicacid,B-[1-(3-methylbutyl)-1H-pyrazol-4-yl]-;1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid, AldrichCPR

Suppliers and Price of 1-(3-Methylbutyl)-1H-pyrazole-4-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
1-Isopentylpyrazole-4-boronicacid
1g
$ 175.00

Matrix Scientific
(1-Isopentyl-1H-pyrazol-4-yl)boronic acid 95+%
1g
$ 639.00

Matrix Scientific
(1-Isopentyl-1H-pyrazol-4-yl)boronic acid 95+%
250mg
$ 288.00

Crysdot
(1-Isopentyl-1H-pyrazol-4-yl)boronicacid 95+%
5g
$ 342.00

Crysdot
(1-Isopentyl-1H-pyrazol-4-yl)boronicacid 95+%
10g
$ 608.00

American Custom Chemicals Corporation
1-(3-METHYLBUTYL)-1H-PYRAZOLE-4-BORONIC ACID 95.00%
1G
$ 675.15

Alichem
(1-Isopentyl-1H-pyrazol-4-yl)boronicacid
10g
$ 644.48

Alichem
(1-Isopentyl-1H-pyrazol-4-yl)boronicacid
5g
$ 345.42

AK Scientific
1-(3-Methylbutyl)-1H-pyrazole-4-boronicacid
10g
$ 904.00

AK Scientific
1-(3-Methylbutyl)-1H-pyrazole-4-boronicacid
5g
$ 531.00

Total 20 raw suppliers

Chemical Property of 1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid

Chemical Property:

Vapor Pressure:2.96E-05mmHg at 25°C
Refractive Index:1.514
Boiling Point:342.1 °C at 760 mmHg
Flash Point:160.7 °C
PSA：58.28000
Density:1.09 g/cm³
LogP:-0.39100
Storage Temp.:2-8°C
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:182.1226579
Heavy Atom Count:13
Complexity:155

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 20/21/22
Safety Statements: 23-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B(C1=CN(N=C1)CCC(C)C)(O)O

Technology Process of 1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid

There total 2 articles about 1-(3-Methylbutyl)-1H-pyrazole-4-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: 41.0%

: 847818-48-8
4-bromo-1-(3-methylbutyl)-1H-pyrazole

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

Guidance literature:: 4-bromo-1-(3-methylbutyl)-1H-pyrazole; With n-butyllithium; In tetrahydrofuran; hexane; at -90 ℃; for 1h;

With Trimethyl borate; In tetrahydrofuran; hexane; at -70 ℃; for 0.5h;

With ammonium chloride; In tetrahydrofuran; hexane; at 20 ℃; for 1h;
DOI:10.1002/jhet.5570410612

Reference yield:

: 107-82-4
i-pentyl bromide

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

Guidance literature:: Multi-step reaction with 2 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

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