3,3-Dimethyl-2,1-benzoxaborol-1(3H)-ol

Modify Date: 2024-01-08 17:04:11

3,3-Dimethyl-2,1-benzoxaborol-1(3H)-ol Structure
3,3-Dimethyl-2,1-benzoxaborol-1(3H)-ol structure
Common Name 3,3-Dimethyl-2,1-benzoxaborol-1(3H)-ol
CAS Number 221352-10-9 Molecular Weight 161.993
Density 1.1±0.1 g/cm3 Boiling Point 242.5±43.0 °C at 760 mmHg
Molecular Formula C9H11BO2 Melting Point N/A
MSDS N/A Flash Point 100.4±28.2 °C

 Names

Name 1-hydroxy-3,3-dimethyl-2,1-benzoxaborole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 242.5±43.0 °C at 760 mmHg
Molecular Formula C9H11BO2
Molecular Weight 161.993
Flash Point 100.4±28.2 °C
Exact Mass 162.085205
PSA 29.46000
LogP 0.63940
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.531

 Safety Information

Hazard Codes Xi

 Synthetic Route

~41%

3,3-Dimethyl-2,1-benzoxaborol-1(3H)-ol Structure

3,3-Dimethyl-2,...

CAS#:221352-10-9

Literature: Cheung, Wing S.; Parks, Daniel J.; Parsons, William H.; Patel, Sharmila; Player, Mark R. Patent: US2008/146637 A1, 2008 ; Location in patent: Page/Page column 44 ;

~80%

3,3-Dimethyl-2,1-benzoxaborol-1(3H)-ol Structure

3,3-Dimethyl-2,...

CAS#:221352-10-9

Literature: Player, Mark R.; Dax, Scott L.; Parsons, William H.; Brandt, Michael Richard; Calvo, Raul R.; Patel, Sharmila; Liu, Jian; Cheung, Wing S.; Jetter, Michele C.; Lee, Yu-Kai; Youngman, Mark A.; Pan, Wenxi; Weils, Kenneth M.; Beauchamp, Derek A. Patent: US2007/259936 A1, 2007 ; Location in patent: Page/Page column 168 ; US 20070259936 A1

~61%

3,3-Dimethyl-2,1-benzoxaborol-1(3H)-ol Structure

3,3-Dimethyl-2,...

CAS#:221352-10-9

Literature: Tomsho, John W.; Pal, Arnab; Hall, Dennis G.; Benkovic, Stephen J. ACS Medicinal Chemistry Letters, 2012 , vol. 3, # 1 p. 48 - 52

~%

3,3-Dimethyl-2,1-benzoxaborol-1(3H)-ol Structure

3,3-Dimethyl-2,...

CAS#:221352-10-9

Literature: REMPEX PHARMACEUTICALS, INC.; GLINKA, Tomasz; HIGUCHI, Robert; HECKER, Scott; EASTMAN, Brian; RODNY, Olga Patent: WO2012/109164 A1, 2012 ; WO 2012/109164 A1

~%

3,3-Dimethyl-2,1-benzoxaborol-1(3H)-ol Structure

3,3-Dimethyl-2,...

CAS#:221352-10-9

Literature: ANACOR PHARMACEUTICALS, INC.; ORR, Matthew; JENKS, Matthew Patent: WO2011/19616 A1, 2011 ;

 Synonyms

QC-4857
3,3-Gem-Dimethyl Benzoxaborole