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| CAS No.: | 179324-87-9 |
|---|---|
| Name: | (aR,3aS,4S,6S,7aR)-Hexahydro-3a,8,8-trimethyl-alpha-(2-methylpropyl)-4,6-methano-1,3,2-benzodioxaborole-2-methanamine 2,2,2-trifluoroacetate |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C15H28BNO2.C2HF3O2 |
| Molecular Weight: | 379.23 |
| Synonyms: | (R)-BoroLeu-(+)-Pinanediol-CF3COOH;(1R)-(S)-Pinanediol 1-ammonium trifluoroacetate-3-methylbutane-1-boronate; |
| EINECS: | 2017-001-1 |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 81.78000 |
| LogP: | 4.38080 |
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Chemistry
Systematic Name: (1R)-3-Methyl-1-[(3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methano-1,3,2-benzodioxaborol-2-yl]butan-1-amine trifluoroacetate (1:1)
Synonyms of (aR,3aS,4S,6S,7aR)-Hexahydro-3a,8,8-trimethyl-alpha-(2-methylpropyl)-4,6-methano-1,3,2-benzodioxaborole-2-methanamine 2,2,2-trifluoroacetate (CAS NO.179324-87-9): (1R)-3-methyl-1-[(3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methano-1,3,2-benzodioxaborol-2-yl]butan-1-amine trifluoroacetate (1:1)
CAS NO: 179324-87-9
Molecular Formula: C15H28BNO2.C2HF3O2
Molecular Weight: 379.23
Molecular Structure: 
SMILES: B1(OC2CC3CC(C3(C)C)C2(O1)C)C(CC(C)C)N.C(=O)(C(F)(F)F)O
InChI: InChI=1/C15H28BNO2.C2HF3O2/c1-9(2)6-13(17)16-18-12-8-10-7-11(14(10,3)4)15(12,5)19-16;3-2(4,5)1(6)7/h9-13H,6-8,17H2,1-5H3;(H,6,7)/t10-,11-,12+,13-,15-;/m0./s1
InChIKey: SRFQKJZNJYTMNI-CDVUYJLHBP
Std. InChI: InChI=1S/C15H28BNO2.C2HF3O2/c1-9(2)6-13(17)16-18-12-8-10-7-11(14(10,3)4)15(12,5)19-16;3-2(4,5)1(6)7/h9-13H,6-8,17H2,1-5H3;(H,6,7)/t10-,11-,12+,13-,15-;/m0./s1
Std. InChIKey: SRFQKJZNJYTMNI-CDVUYJLHSA-N
Uses
(aR,3aS,4S,6S,7aR)-Hexahydro-3a,8,8-trimethyl-alpha-(2-methylpropyl)-4,6-methano-1,3,2-benzodioxaborole-2-methanamine 2,2,2-trifluoroacetate (CAS NO.179324-87-9) is used for Bortezomib intermediate.