1,3,5-Trimethylpyrazole-4-boronic acid

Base Information

Chemical Name:1,3,5-Trimethylpyrazole-4-boronic acid
CAS No.:847818-62-6
Molecular Formula:C6H11 B N2 O2
Molecular Weight:153.977
Hs Code.:2933199090
European Community (EC) Number:800-917-3
DSSTox Substance ID:DTXSID50457520
Wikidata:Q82280387
Mol file:847818-62-6.mol

Synonyms:847818-62-6;1,3,5-Trimethylpyrazole-4-boronic acid;(1,3,5-Trimethyl-1H-pyrazol-4-yl)boronic acid;(1,3,5-trimethylpyrazol-4-yl)boronic Acid;Boronic acid, (1,3,5-trimethyl-1H-pyrazol-4-yl)-;MFCD11183310;1,3,5-TRIMETHYL-1H-PYRAZOL-4-YLBORONIC ACID;BORONIC ACID, B-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)-;SCHEMBL585201;DTXSID50457520;AWOUMBMZDWJMGM-UHFFFAOYSA-N;AMY32820;XIB81862;AKOS009317881;AB63742;1,3,5-trimethylpyrazol-4-ylboronic acid;DS-15803;SY030330;CS-0061400;EN300-147829;W17690;(1,3,5-Trimethyl-1H-pyrazol-4-yl)boronicacid;(TRIMETHYL-1H-PYRAZOL-4-YL)BORONIC ACID;1,3,5-TRIMETHYL-1H-PYRAZOLE-4-BORONIC ACID;1,3,5-Trimethyl-1H-pyrazol-4-ylboronic acid, AldrichCPR

Suppliers and Price of 1,3,5-Trimethylpyrazole-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
(1,3,5-Trimethylpyrazol-4-yl)boronicAcid
10g
$ 1540.00

Medical Isotopes, Inc.
(1,3,5-Trimethylpyrazol-4-yl)boronicAcid
10 g
$ 2400.00

Medical Isotopes, Inc.
(1,3,5-Trimethylpyrazol-4-yl)boronicAcid
1 g
$ 675.00

Matrix Scientific
(1,3,5-Trimethyl-1H-pyrazol-4-yl)boronic acid 95+%
1g
$ 109.00

Matrix Scientific
(1,3,5-Trimethyl-1H-pyrazol-4-yl)boronic acid 95+%
5g
$ 455.00

Crysdot
(1,3,5-Trimethyl-1H-pyrazol-4-yl)boronicacid 95+%
5g
$ 321.00

Crysdot
(1,3,5-Trimethyl-1H-pyrazol-4-yl)boronicacid 95+%
10g
$ 535.00

Chemenu
(1,3,5-Trimethyl-1H-pyrazol-4-yl)boronicacid 0.95
1g
$ 110.00

American Custom Chemicals Corporation
(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BORONIC ACID 95.00%
1G
$ 405.30

Ambeed
(1,3,5-Trimethyl-1H-pyrazol-4-yl)boronicacid 96%
10g
$ 581.00

Total 17 raw suppliers

Chemical Property of 1,3,5-Trimethylpyrazole-4-boronic acid

Chemical Property:

Boiling Point:326.0±52.0 °C(Predicted)
PKA:7.92±0.58(Predicted)
PSA：58.28000
Density:1.15±0.1 g/cm3(Predicted)
LogP:-1.28330
Storage Temp.:Inert atmosphere,Store in freezer, under -20°C
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:154.0913578
Heavy Atom Count:11
Complexity:145

Purity/Quality:

97% ^*data from raw suppliers

(1,3,5-Trimethylpyrazol-4-yl)boronicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B(C1=C(N(N=C1C)C)C)(O)O
Uses Boronic acid, B-(1,3,5-trimethyl-1H-pyrazol-4-yl)- is an intermediate used in the synthesis of potent and selective phosphodiesterase 10A inhibitor. (1,3,5-Trimethylpyrazol-4-yl)boronic Acid is an intermediate used in the synthesis of potent and selective phosphodiesterase 10A inhibitor.

Technology Process of 1,3,5-Trimethylpyrazole-4-boronic acid

There total 2 articles about 1,3,5-Trimethylpyrazole-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: 37.6%

: 15801-69-1
4-bromo-1,3,5-trimethylpyrazole

: 847818-62-6
(1,3,5-trimethyl-1H-pyrazol-4-yl)boronic acid

Guidance literature:: 4-bromo-1,3,5-trimethylpyrazole; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1.5h;

With Trimethyl borate; In tetrahydrofuran; at -10 ℃; for 2h;

With hydrogenchloride; water; In tetrahydrofuran; at -10 ℃; for 0.5h;

Reference yield:

: 3398-16-1
4-Bromo-3,5-dimethylpyrazole

: 847818-62-6
(1,3,5-trimethyl-1H-pyrazol-4-yl)boronic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: 70 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: 25 percent / aq. ammonium chloride / tetrahydrofuran; hexane / 1 h / 20 °C

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

Reference yield: 53.0%

: 1366180-89-3
2-(4-bromophenyl)-4-hydroxy-1,6-naphthyridine-3-carbonitrile

: 847818-62-6
(1,3,5-trimethyl-1H-pyrazol-4-yl)boronic acid

: 1366180-85-9
4-hydroxy-2-[4-(1,3,5-trimethyl-1H-pyrazol-4-yl)phenyl]-1,6-naphthyridine-3-carbonitrile

Guidance literature:: With dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); potassium carbonate; In water; acetonitrile; at 150 ℃; for 0.5h; Microwave irradiation;
DOI:10.1016/j.bmcl.2012.01.046