(S)-3-Methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimet… 477254-69-6

Name: (S)-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
Brand: Vaqora Chemicals
SKU: VQ-024615

About (S)-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

Vaqora Chemicals supplies (S)-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, an impurity of Bortezomib registered under CAS number 477254-69-6. Formula C17H29BF3NO4, molecular weight 379.2 g/mol. Alternative names: (S)-BoroLeu-(-)-Pinanediol-CF3COOH and (S)-BoroLeu-(+)-Pinanediol trifluoroacetate.

It is supplied as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. Good laboratory practice and suitable PPE are recommended during handling.

As a characterised impurity of Bortezomib, it is used for analytical method development, method validation (AMV) and routine quality-control testing, and it supports ANDA and DMF regulatory filings. Typical end-use sectors are pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Industries

Related to Bortezomib

View every impurity, metabolite and intermediate we list for Bortezomib.

Bortezomib impurities

Specifications & identifiers

Chemical identifiers
Product name	(S)-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
Catalogue No.	VQ-024615
CAS Number	477254-69-6
IUPAC name	(1S)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butan-1-amine;2,2,2-trifluoroacetic acid
Molecular formula	C₁₇H₂₉BF₃NO₄
Molecular weight	379.2 g/mol
Exact mass	379.2142
Grade	Reference Standard
HSN code	38229090
InChIKey	SRFQKJZNJYTMNI-AJQRTZQTSA-N
SMILES	B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@@H](CC(C)C)N.C(=O)(C(F)(F)F)O
PubChem CID	118989667

Physical properties
Physical form	Solid
H-bond donors / acceptors	2 / 8
TPSA	81.8 Å²
Synonyms	(1S)-(1S,2S,3R,5S)-Pinanediol-1-ammoniumtrifluoroacetate-3-methylbutane-1-boronate, (S)-BoroLeu-(-)-Pinanediol-CF3COOH, (S)-BoroLeu-(+)-Pinanediol trifluoroacetate, (S)-BoroLeu-(+)-pinanediol-trifluoroacetate, (S)-BoroLeu-(+)-Pinanedioltrifluoroacetate, (1s) - (s) - pinanediol-1-amino-3-methylbutane-1-borate trifluoroacetate

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of (S)-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?

The CAS Registry Number of (S)-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 is 477254-69-6. It is also known as (1S)-(1S,2S,3R,5S)-Pinanediol-1-ammoniumtrifluoroacetate-3-methylbutane-1-boronate, (S)-BoroLeu-(-)-Pinanediol-CF3COOH, (S)-BoroLeu-(+)-Pinanediol trifluoroacetate.

What is the molecular formula and molecular weight of (S)-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?

(S)-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 has the molecular formula C17H29BF3NO4 and a molecular weight of 379.2 g/mol.

What is (S)-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 used for?

(S)-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 is supplied as a characterised reference material related to Bortezomib. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of (S)-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 can I order?

We supply (S)-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 in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with (S)-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?

Yes. Every lot of (S)-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 is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can (S)-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 be shipped internationally?

Yes. We export (S)-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 worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.