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Structure

1-Methyl-1H-pyrazole-5-boronic acid, neopentyl glycol ester

CAS
1044851-76-4
Catalog Number
ACM1044851764
Category
Other Products
Molecular Weight
194.04
Molecular Formula
C9H15BN2O2

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Specification

Synonyms
1044851-76-4, 5-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)-1-METHYL-1H-PYRAZOLE, ACMC-20am84, SureCN1527234, CTK6I4069, AG-A-81358, OR40097, BB 0259528, I14-86266, 1-Methyl-1H-pyrazole-5-boronic acid, neopentyl glycol ester, 5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole, 1-METHYL-1H-PYRAZOLE-5-BORONIC ACID NEOPENTYL GLYCOL ESTER
IUPAC Name
5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole
Canonical SMILES
B1(OCC(CO1)(C)C)C2=CC=NN2C
InChI Key
GJNNJJRONITJEY-UHFFFAOYSA-N
Boiling Point
318.1ºC at 760 mmHg
Flash Point
146.2ºC
Density
1.09g/cm³
Exact Mass
194.12300
H-Bond Acceptor
3
H-Bond Donor
0

Downstream Synthesis Route 1

  • 1044851-76-4
  • 96232-71-2
  • 1047644-91-6

Reference: [1]Current Patent Assignee: Novartis (w/o Sandoz); NOVARTIS AG - WO2008/98104, 2008, A1
Location in patent: Page/Page column 112

Downstream Synthesis Route 2

  • 62224-16-2
  • 1044851-76-4
  • 1047629-03-7

Reference: [1]Patent: US2018/201610,2018,A1 .Location in patent: Paragraph 0403; 0404

Downstream Synthesis Route 3

  • 16694-18-1
  • 1044851-76-4
  • 1047629-30-0

Reference: [1]Patent: WO2008/98104,2008,A1 .Location in patent: Page/Page column 117-118

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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