Cas no 847818-68-2 (1,3-dimethylpyrazole-4-boronic acid)

1,3-dimethylpyrazole-4-boronic acid structure

847818-68-2 structure

Product Name:1,3-dimethylpyrazole-4-boronic acid

CAS No:847818-68-2

MF:C₅H₉BN₂O₂

MW:139.948160886765

MDL:MFCD12407383

CID:844271

PubChem ID:11252054

Update Time:2024-10-26

1,3-dimethylpyrazole-4-boronic acid Chemical and Physical Properties

Names and Identifiers

- (1,3-Dimethyl-1H-pyrazol-5-yl)boronic acid
- (2,5-dimethylpyrazol-3-yl)boronic acid
- 1,3-Dimethyl-1H-pyrazol-5-ylboronic acid
- 1,3-Dimethylpyrazole-5-boronic acid
- Boronic acid, (1,3-dimethyl-1H-pyrazol-5-yl)-
- Boronic acid, B-(1,3-dimethyl-1H-pyrazol-5-yl)-
- 5H9BN2O2
- RAAWPADCPXAWSK-UHFFFAOYSA-N
- FCH923683
- AB65581
- OR361166
- V7957
- ST24020050
- 1,3-dimethylpyrazole-5-boro
- 1,3-dimethylpyrazole-4-boronic acid
- B-(1,3-Dimethyl-1H-pyrazol-5-yl)boronic acid (ACI)
- Boronic acid, (1,3-dimethyl-1H-pyrazol-5-yl)- (9CI)
- SCHEMBL860264
- Y10241
- AKOS006346084
- 2,5-DIMETHYLPYRAZOL-3-YLBORONIC ACID
- MFCD12407383
- CS-0109835
- (1,3-Dimethyl-1H-pyrazol-5-yl)boronicacid
- 1,3-dimethylpyrazole-5-boronic acid, AldrichCPR
- 847818-68-2
- SY025703
- 1,3-DIMETHYL-1H-PYRAZOLE-5-BORONIC ACID
- EN300-113776
- DTXSID00460064
- DS-17773
- DA-17373
- MDL： MFCD12407383
- Inchi： 1S/C5H9BN2O2/c1-4-3-5(6(9)10)8(2)7-4/h3,9-10H,1-2H3
- InChI Key： RAAWPADCPXAWSK-UHFFFAOYSA-N
- SMILES： OB(C1N(C)N=C(C)C=1)O

Computed Properties

Exact Mass: 140.07600
Monoisotopic Mass: 140.0757077 g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 10
Rotatable Bond Count: 1
Complexity: 122
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Topological Polar Surface Area: 58.3
Molecular Weight: 139.95

Experimental Properties

PSA: 58.28000
LogP: -1.59170

1,3-dimethylpyrazole-4-boronic acid Security Information

Signal Word：Warning
Hazard Statement： H302
Warning Statement： P280-P305+P351+P338
Hazard Category Code： 22
Hazardous Material Identification：
Storage Condition：Inert atmosphere,Store in freezer, under -20°C

1,3-dimethylpyrazole-4-boronic acid Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Alichem	A049005212-1g	(1,3-Dimethyl-1H-pyrazol-5-yl)boronic acid	847818-68-2	95%	1g	$193.80	2023-08-31
Alichem	A049005212-5g	(1,3-Dimethyl-1H-pyrazol-5-yl)boronic acid	847818-68-2	95%	5g	$704.52	2023-08-31
Fluorochem	208874-250mg	1,3-Dimethyl-1H-pyrazol-5-yl)boronic acid	847818-68-2	95%	250mg	￡64.00	2022-03-01
Fluorochem	208874-5g	1,3-Dimethyl-1H-pyrazol-5-yl)boronic acid	847818-68-2	95%	5g	￡583.00	2022-03-01
Fluorochem	208874-1g	1,3-Dimethyl-1H-pyrazol-5-yl)boronic acid	847818-68-2	95%	1g	￡162.00	2022-03-01
Chemenu	CM134135-250mg	(1,3-Dimethyl-1H-pyrazol-5-yl)boronic acid	847818-68-2	95+%	250mg	$96	2021-08-05
Chemenu	CM134135-1g	(1,3-Dimethyl-1H-pyrazol-5-yl)boronic acid	847818-68-2	95+%	1g	$240	2021-08-05
Chemenu	CM134135-5g	(1,3-Dimethyl-1H-pyrazol-5-yl)boronic acid	847818-68-2	95+%	5g	$1088	2021-08-05
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.	D899274-5g	(1,3-Dimethyl-1H-pyrazol-5-yl)boronic acid	847818-68-2	≥95%	5g	3,915.00	2021-05-17
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-EC419-50mg	1,3-dimethylpyrazole-4-boronic acid	847818-68-2	95+%	50mg	172.0CNY	2021-08-04

1,3-dimethylpyrazole-4-boronic acid Production Method

Production Method 1

694-48-4

847818-68-2

Reaction Conditions

1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran , Hexane ; 1 h, 20 °C; 20 °C → -70 °C
1.2 Reagents: Trimethyl borate ; 0.5 h, -70 °C; -70 °C → -15 °C
1.3 Reagents: Ammonium chloride Solvents: Water ; neutralized, -15 °C; -15 °C → rt; 1 h, rt

Reference

Synthesis of pinacol esters of 1-alkyl-1H-pyrazol-5-yl- and 1-alkyl-1H-pyrazol-4-ylboronic acids

Ivachtchenko, Alexandre V.; Kravchenko, Dmitry V.; Zheludeva, Valentina I.; Pershin, Dmitry G., Journal of Heterocyclic Chemistry, 2004, 41(6), 931-939