1-Ethylpyrazole-4-boronic acid

Base Information

• Chemical Name: 1-Ethylpyrazole-4-boronic acid
• CAS No.: 847818-56-8
• Molecular Formula: C₅H₉BN₂O₂
• Molecular Weight: 139.95
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID90466035
• Wikidata: Q82292408
• Mol file: 847818-56-8.mol

Synonyms:1-Ethylpyrazole-4-boronic acid;847818-56-8;(1-Ethyl-1H-pyrazol-4-yl)boronic acid;(1-ethylpyrazol-4-yl)boronic Acid;1-Ethyl-1H-pyrazole-4-boronic acid;MFCD10703521;1-Ethylpyrazole-4-boronicAcid;Boronic acid, (1-ethyl-1H-pyrazol-4-yl)-;1-ethyl-1H-pyrazol-4-ylboronic acid;SCHEMBL532133;DTXSID90466035;IIBSDEGSGLVNOY-UHFFFAOYSA-N;AMY33022;AKOS010942748;AB62666;CS-11558;SY024901;1-ethylpyrazole-4-boronic acid, AldrichCPR;CS-0045063;FT-0735431;EN300-150964;W18354;A863993;1-Ethylpyrazole-4-boronic Acid

Chemical Property of 1-Ethylpyrazole-4-boronic acid

Chemical Property:

• PSA: 58.28000
• LogP: -1.41720
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 140.0757077
• Heavy Atom Count: 10
• Complexity: 112

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CN(N=C1)CC)(O)O

Technology Process of 1-Ethylpyrazole-4-boronic acid

There total 2 articles about 1-Ethylpyrazole-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: 60.0%

1-ethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole (847818-70-6) → (1-ethyl-1H-pyrazol-4-yl)boronic acid (847818-56-8)

Guidance literature:

With sodium periodate; ammonium acetate; In water; acetone; at 20 ℃; for 16h;

Reference yield: 44.0%

4-bromo-1-ethyl-1H-pyrazole (71229-85-1) → (1-ethyl-1H-pyrazol-4-yl)boronic acid (847818-56-8)

Guidance literature:

4-bromo-1-ethyl-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: 78.0%

2,3-dimethyl-2,3-butane diol (76-09-5) + (1-ethyl-1H-pyrazol-4-yl)boronic acid (847818-56-8) → 1-ethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole (847818-70-6)

Guidance literature:

With 4 A molecular sieve; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1002/jhet.5570410612

upstream raw materials:

4-bromo-1-ethyl-1H-pyrazole

1-ethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole

Downstream raw materials:

1-ethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole

1-ethyl-1H-pyrazol-4-ol