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
Category：Pharmaceutical Materials
Introduction
Molecular Formula: C15H28BNO2.C2HF3O2 Molecular Weight: 379.23 CAS Registry Number: 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
CAS: 179324-87-9
Appearance: white powder
Assay: ≥99%
Capacity: 20mt/year
Min.package: 1gram
Application: Bortezomib intermediate
Standard: Enterprise export
(aR, 3aS, 4S, 6S, 7aR) – hexahydro-3a, 8,8-trimethyl-alpha – (2-methylpropyl) -4,6-methylBridge-1,3,2-Benzodioxolane-2-methylamino-2,2-trifluoroacetate, abbreviated as HMTA.
nature:
HMTA is a solid compound. It has the appearance of white crystals, soluble in ethanol and dimethylformamide, insoluble in water. HMTA is stable at room temperature, but may undergo thermal decomposition.
Purpose:
HMTA has a wide range of applications in organic synthesis. It can serve as an asymmetric catalyst or reagent, participating in various organic reactions such as asymmetric synthesis, cyclization reactions, etc. HMTA can also be used as a nitrogen source and flame retardant additive in organic synthesis.
Manufacturing method:
The preparation method of HMTA is relatively complex. A common preparation method is to react 4-cyclohexene-1,2-diol with iodomethane to produce 4-cyclohexene-1,2-dimethyl and 4-cyclohexene-1,2-diiodide compounds. Then, these two compounds are reacted with triethylamine difluoroborane to form HMTA.
Security information:
HMTA is an organic compound and requires careful handling when used. It is irritating to the skin and eyes, please avoid contact with the skin and eyes. When in use, good ventilation conditions should be provided to avoid inhaling its dust or vapor. If there is accidental inhalation or ingestion, please seek medical attention immediately.
| 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 |
| Synonyms | (αR,3aS,4S,6S,7aR)- Bortezomib Intermediate 1 (R)-BoroLeu-(+)-Pinanediol-CF3COOH (R)-BoroLeu-(+)-Pinanediol-CF3CO2H (R)-BoroLeu-(+)-Pinanediol-CF3 COOH (R)-BoroLeu-(+)-Pinanediol trifluoroacetate 2,5-diamino-4,6-dihydroxy pyrimidine Hydrochloride (1R)-(S)-PINANEDIOL 1-AMMONIUM TRIFLUOROACETATE-3-METHYLBUTANE-1-BORONATE (1R)-(S)-Pinanediol 1-Ammonium trifluoroacetate-3-Methylbutane-1-BORONATE (αR)-(1S,2S,3R,5S)-Pinanediol-1-amino-3-methylbutane-1-boronate Trifluoroacetate (R)-3-Methyl-1-((3As,4S,6S,7Ar)-3A,5,5-Trimethylhexahydro-4,6-Methanobenzo[D][1,3,2]Dioxaborol-2-Yl)Butan-1-Amine 2,2,2-Trifluoroacetate (aR,3aS,4S,6S,7aR)-Hexahydro-3a,8,8-trimethyl-alpha-(2-methylpropyl)-4,6-methano-1,3,2-benzodioxaborole-2-methanamine2,2,2-trifluoroacetate (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 (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 | 179324-87-9 |
| EINECS | 2017-001-1 |
| 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 |
| Molecular Formula | C17H29BF3NO4 |
| Molar Mass | 379.23 |
| Melting Point | 157-159°C |
| Solubility | Ethanol (Slightly), Methanol (Slightly) |
| Appearance | Solid |
| Color | White to Off-White |
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
| Risk Codes | 36/37/38 – Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 – In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 – Wear suitable protective clothing, gloves and eye/face protection. |
| HS Code | 29209090 |
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