(3aS,4S,6S,7aR)-2-Isobutyl-3a,5,5-trimethylhexahydro-4,6-methano-1,3,2-benzodioxaborole - CAS 84110-34-9
Catalog: |
BB037132 |
Product Name: |
(3aS,4S,6S,7aR)-2-Isobutyl-3a,5,5-trimethylhexahydro-4,6-methano-1,3,2-benzodioxaborole |
CAS: |
84110-34-9 |
Synonyms: |
(1S,2S,6R,8S)-2,9,9-trimethyl-4-(2-methylpropyl)-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6}]decane; (1S,2S,6R,8S)-2,9,9-trimethyl-4-(2-methylpropyl)-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6}]decane |
IUPAC Name: | (1S,2S,6R,8S)-2,9,9-trimethyl-4-(2-methylpropyl)-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane |
Description: | (3aS,4S,6S,7aR)-2-Isobutyl-3a,5,5-trimethylhexahydro-4,6-methano-1,3,2-benzodioxaborole (CAS# 84110-34-9) is a useful research chemical. |
Molecular Weight: | 236.16 |
Molecular Formula: | C14H25O2B |
Canonical SMILES: | B1(OC2CC3CC(C3(C)C)C2(O1)C)CC(C)C |
InChI: | InChI=1S/C14H25BO2/c1-9(2)8-15-16-12-7-10-6-11(13(10,3)4)14(12,5)17-15/h9-12H,6-8H2,1-5H3/t10-,11-,12+,14-/m0/s1 |
InChI Key: | QGWQMLAZUPRXGK-FMSGJZPZSA-N |
Boiling Point: | 272.3±9.0 °C (760 Torr) |
Density: | 0.97±0.1 g/cm3 (20°C 760 Torr) |
MDL: | MFCD09837626 |
LogP: | 3.37070 |
Publication Number | Title | Priority Date |
US-2012289699-A1 | Process for Preparing and Purifying Bortezomib | 20110512 |
US-8497374-B2 | Process for preparing and purifying bortezomib | 20110512 |
AU-2011214024-A1 | Process for the preparation of bortezomib | 20100209 |
CA-2789400-A1 | Process for the preparation of bortezomib | 20100209 |
EP-2534159-A1 | Process for the preparation of bortezomib | 20100209 |
Complexity: | 328 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 4 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.1947602 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.1947602 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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