trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1… 61397-57-7

About trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate

trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate is a process intermediate or related compound of Ketoconazole carrying the CAS registry number 61397-57-7. Its molecular formula is C18H15BrCl2O4 and its molecular weight is 446.1 g/mol. Its systematic (IUPAC) name is [(2R,4R)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate. Alternative names: cis-BBD and Cisbromobenzoate.

The product is provided as a solid. Store the standard in its sealed vial, protected from light and moisture, and follow the storage condition printed on the COA. Handle it with standard laboratory precautions and appropriate personal protective equipment.

Process chemists and analysts use it when developing synthetic routes to Ketoconazole, tracking process-related impurities and validating analytical methods. It is used across pharmaceutical manufacturing and academic and industrial research.

We offer trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate in 10 mg, 25 mg, 50 mg and 100 mg packs with a batch-specific COA, and ship to customers worldwide.

Typical applications

API route development
Impurity fate & purge studies
Analytical method development

Industries

Related to Ketoconazole

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

Ketoconazole impurities

Specifications & identifiers

Chemical identifiers
Product name	trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate
Catalogue No.	VQ-048742
CAS Number	61397-57-7
IUPAC name	[(2R,4R)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate
Molecular formula	C₁₈H₁₅BrCl₂O₄
Molecular weight	446.1 g/mol
Exact mass	443.9531
InChIKey	OXUPOIXSQGXRGF-KSSFIOAISA-N
SMILES	C1[C@@H](O[C@@](O1)(CBr)C2=C(C=C(C=C2)Cl)Cl)COC(=O)C3=CC=CC=C3
PubChem CID	1390983

Physical properties
Physical form	Solid
LogP (XLogP3)	4.8
H-bond donors / acceptors	0 / 4
TPSA	44.8 Å²
Synonyms	cis-BBD, 1,3-Dioxolane-4-methanol, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-,benzoate, (2R,4R)-rel-, (cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl benzoate, Cis-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate, 1,3-Dioxolane-4-methanol, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-, benzoate, (2R,4R)-rel-, Cisbromobenzoate, ((2R,4R)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl benzoate, (2R,4S)-rel-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-methanol Benzoate, Cis -Bromo -Ester, Cis -Bromo Benzoate

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 trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate?

The CAS Registry Number of trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate is 61397-57-7. It is also known as cis-BBD, 1,3-Dioxolane-4-methanol, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-,benzoate, (2R,4R)-rel-, (cis-2-(Bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl benzoate.

What is the molecular formula and molecular weight of trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate?

trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate has the molecular formula C18H15BrCl2O4 and a molecular weight of 446.1 g/mol. Its IUPAC name is [(2R,4R)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate.

What is trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate used for?

trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate is supplied as a characterised reference material related to Ketoconazole. 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 trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate can I order?

We supply trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate, 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 trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate?

Yes. Every lot of trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate 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 trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate be shipped internationally?

Yes. We export trans-[2-Bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl Benzoate worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.