CAS
635305-24-7 Purity
96%
635305-24-7 Purity
96%
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1-Methyl-1H-indazole-4-boronic acid pinacol ester
CAS
885698-94-2
Catalog Number
ACM885698942
Category
Other Products; Boronic Esters
Molecular Weight
258.13g/mol
Molecular Formula
C14H19BN2O2
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Specification
IUPAC Name
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=NN(C3=CC=C2)C
InChI
InChI=1S/C14H19BN2O2/c1-13(2)14(3,4)19-15(18-13)11-7-6-8-12-10(11)9-16-17(12)5/h6-9H,1-5H3
InChI Key
OZHFBNULPUBRJF-UHFFFAOYSA-N
Complexity
345
Covalently-Bonded Unit Count
1
Exact Mass
258.153958g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
0
Heavy Atom Count
19
Monoisotopic Mass
258.153958g/mol
Rotatable Bond Count
1
May 23, 2023
Work good in organic synthesis.
Through Suzuki coupling reaction, 1-Methyl-1H-indazole-4-boronic acid pinacol ester can prepare indazole compounds in high yield.
What is the molecular formula of 1-Methyl-1H-indazole-4-boronic acid pinacol ester?
The molecular formula is C14H19BN2O2.
What is the molecular weight of 1-Methyl-1H-indazole-4-boronic acid pinacol ester?
The molecular weight is 258.13 g/mol.
When was 1-Methyl-1H-indazole-4-boronic acid pinacol ester created?
It was created on June 3, 2010.
When was 1-Methyl-1H-indazole-4-boronic acid pinacol ester last modified?
It was last modified on December 2, 2023.
What is the IUPAC name of 1-Methyl-1H-indazole-4-boronic acid pinacol ester?
The IUPAC name is 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.
What is the InChI of 1-Methyl-1H-indazole-4-boronic acid pinacol ester?
The InChI is InChI=1S/C14H19BN2O2/c1-13(2)14(3,4)19-15(18-13)11-7-6-8-12-10(11)9-16-17(12)5/h6-9H,1-5H3.
What is the InChIKey of 1-Methyl-1H-indazole-4-boronic acid pinacol ester?
The InChIKey is OZHFBNULPUBRJF-UHFFFAOYSA-N.
What is the canonical SMILES of 1-Methyl-1H-indazole-4-boronic acid pinacol ester?
The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=C3C=NN(C3=CC=C2)C.
What is the CAS number of 1-Methyl-1H-indazole-4-boronic acid pinacol ester?
The CAS number is 885698-94-2.
Is 1-Methyl-1H-indazole-4-boronic acid pinacol ester considered a canonicalized compound?
Yes, it is considered a canonicalized compound.
Upstream Synthesis Route 1
- 74-88-4
- 885698-94-2
- 885698-95-3
Reference: [1] Patent: WO2006/46031, 2006, A1, . Location in patent: Page/Page column 84
Upstream Synthesis Route 2
- 74-88-4
- 885698-94-2
- 885698-95-3
Reference: [1]Patent: WO2006/46031,2006,A1 .Location in patent: Page/Page column 84
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