97845-58-4

Basic information

• Product Name: 5-(2-BROMOETHYL)-2,2-DIMETHYL-1,3-DIOXANE
• Synonyms: 5-(2-BROMOETHYL)-2,2-DIMETHYL-1,3-DIOXANE;(2-BROMOETHYL)-2,2-DIMETHYL-1,3-DIOXANE;1,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl-
• CAS NO: 97845-58-4
• Molecular Formula: C₈H₁₅BrO₂
• Molecular Weight: 223.11
• Mol File: 97845-58-4.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 239.2°C at 760 mmHg
• Flash Point: 67℃
• Appearance: /
• Density: 1.336 g/mL at 25 °C
• Vapor Pressure: 0.0627mmHg at 25°C
• Refractive Index: n20/D1.482
• Storage Temp.: ?20°C
• CAS DataBase Reference: 5-(2-BROMOETHYL)-2,2-DIMETHYL-1,3-DIOXANE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(2-BROMOETHYL)-2,2-DIMETHYL-1,3-DIOXANE(97845-58-4)
• EPA Substance Registry System: 5-(2-BROMOETHYL)-2,2-DIMETHYL-1,3-DIOXANE(97845-58-4)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36
• RIDADR: NA 1993 / PGIII
• WGK Germany: 3
• HazardClass: IRRITANT-HARMFUL, MOISTURE SENSI
• Hazardous Substances Data: 97845-58-4(Hazardous Substances Data)

Usage

General Description

5-(2-Bromoethyl)-2,2-dimethyl-1,3-dioxane is a chemical compound with the molecular formula C7H14Br2O2. It is a dioxane derivative with a bromoethyl substituent and two dimethyl groups. This chemical may be used in research and laboratory settings as an intermediate or reagent in organic synthesis. It should be handled and stored with care due to its potentially hazardous properties, and proper safety protocols and equipment should be used when working with this compound.

InChI:InChI=1/C8H15BrO2/c1-8(2)10-5-7(3-4-9)6-11-8/h7H,3-6H2,1-2H3

Upstream product

• 6482-32-2 2-(hydroxymethyl)butane-1,4-diol 

Downstream Products

• 39809-25-1 Penciclovir 
• 206067-85-8 N²-(p-anisyldiphenylmethyl)-9-[(4-fluoro)-3-p-anisyldiphenylmethoxy-methylbutyl]guanine 
• 206067-84-7 N²-(p-anisyldiphenylmethyl)-9-[(4-(p-toluenesulfonyloxy))-3-p-anisyldiphenylmethoxy-methyl-butyl]guanine 
• 127205-15-6 2-amino-6-benzyloxy-9-<2'-(2,2-dimethyl-1,3-dioxan-5-yl)-ethyl>-9H-purine 
• 104227-86-3 6-deoxypenciclovir 
• 97845-67-5 2-amino-6-(benzyloxy)-9-<4-hydroxy-3-(hydroxymethyl)but-1-yl>purine 
• 97845-72-2 2-[(acetyloxy)methyl]-4-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)butyl acetate 
• 97845-88-0 2-amino-9-<4-hydroxy-3-(hydroxymethyl)but-1-yl>-6-phenoxypurine 
• 97845-74-4 9-<4-(hexanoyloxy)-3-<(hexanoyloxy)methyl>but-1-yl>guanine 
• 108970-74-7 9-<4-hydroxy-3-(hydroxymethyl)but-1-yl>xanthine 
• 97845-75-5 9-<4-(formyloxy)-3-<(formyloxy)methyl>but-1-yl>guanine 
• 97845-81-3 9-<4-(benzoyloxy)-3-(hydroxymethyl)but-1-yl>guanine 
• 97845-78-8 N²-(monomethoxytrityl)-9-<4-hydroxy-3-(hydroxymethyl)but-1-yl>guanine 

Relevant articles and documents

An Improved Total Synthesis of PET HSV-tk Gene Reporter Probe 9-(4-[ 18F]Fluoro-3-hydroxymethylbutyl)guanine ([18F]FHBG)

An improved total synthesis of [18F]FHBG starting from triethyl-1,1,2-ethanetricarboxylate and 2-amino-6-chloropurine is reported. [18F]FHBG was prepared by nucleophilic substitution of the appropriate precursor with [18F]KF/Kryptofix 2.2.2 followed by a quick deprotection reaction and purification with a simplified Silica Sep-Pak solid-phase extraction (SPE) method in 20-25% radiochemical yield.

Novel radiosynthesis of PET HSV-tk gene reporter probes [ 18F]FHPG and [18F]FHBG employing dual Sep-Pak SPE techniques

Positron emission tomography (PET) herpes simplex virus thymidine kinase (HSV-tk) gene reporter probes 9-[(3-[18F]fluoro-1-hydroxy-2-propoxy) methyl]guanine ([18F]FHPG) and 9-(4-[18F]fluoro-3- hydroxymethylbutyl)guanine ([18F]FHBG) were prepared by nucleophilic substitution of the appropriate tosylated precursors with [18F]KF/ Kryptofix 2.2.2 followed by a quick deprotection reaction and purification with a simplified dual Silica Sep-Pak solid-phase extraction (SPE) method in 15-30% radiochemical yield.

AN IMPROVED SYNTHESIS OF THE ANTIVIRAL ACYCLONUCLEOSIDE 9-(4-HYDROXY-3-HYDROXYMETHYLBUT-1-YL)GUANINE

Alkylation of 2-amino-6-chloropurine with 5-(2-bromoethyl)-2,2-dimethyl-1,3-dioxan (7) and subsequent acid hydrolysis provides an improved procedure for synthesis of the antiviral acyclonucleoside 9-(4-hydroxy-3-hydroxymethylbut-1-yl)guanine (3).