61898-49-5

Basic information

• Product Name: ETHYL BROMOACETATE-13C2
• Synonyms: ETHYL BROMOACETATE-13C2;ETHYL BROMOACETATE (1,2-13C2);ETHYL BROMOACETATE-13C2, 98 ATOM % 13C;PQJJJMRNHATNKG-CQDYUVAPSA-N
• CAS NO: 61898-49-5
• Molecular Formula: C₄H₇BrO₂
• Molecular Weight: 169.02
• Product Categories: C2 to C5;Carbonyl Compounds;Esters;Alphabetical Listings;E-F;Stable Isotopes;Isotope Labelled Compounds, Miscellaneous Compounds
• Mol File: 61898-49-5.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 159 °C(lit.)
• Flash Point: 118 °F
• Appearance: /
• Density: 1.524 g/mL at 25 °C
• Refractive Index: 1.453
• Storage Temp.: Hygroscopic, Refrigerator, Under Inert Atmosphere
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• BRN: 5328898
• CAS DataBase Reference: ETHYL BROMOACETATE-13C2(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL BROMOACETATE-13C2(61898-49-5)
• EPA Substance Registry System: ETHYL BROMOACETATE-13C2(61898-49-5)

Safety Data

• Hazard Codes: T+
• Statements: 26/27/28
• Safety Statements: 26-45-7/9
• RIDADR: UN 1603 6.1/PG 2
• WGK Germany: 3
• F: 19
• Hazardous Substances Data: 61898-49-5(Hazardous Substances Data)

Usage

Chemical Properties

Clear Colourless Oil

Uses

Different sources of media describe the Uses of 61898-49-5 differently. You can refer to the following data:
1. Labeled Ethyl Bromoacetate, is used in the synthesis of 13C4-labeled metabolites of carcinogenic PAHs. Used in the preparation of steroidal antiestrogens through cyclic condensation. A reactant in the preparation of antimicrobial and antioxidant coumarinyloxymethyl-thiadiazolone.
2. Ethyl BroMoacetate-1,2-13C2 is used in the synthesis of 13C4-labeled metabolites of carcinogenic PAHs. Used in the preparation of steroidal antiestrogens through cyclic condensation. A reactant in the preparation of antimicrobial and antioxidant coumarinyloxymethyl-thiadiazolone.

InChI:InChI=1/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3/i3+1,4+1

Upstream product

• 16651-47-1 [1,2-13C₂]acetic acid 
• 64-17-5 ethanol 
• 52947-00-9 bromo[1,2-¹³C₂]acetic acid 

Downstream Products

• 100940-60-1 [¹³C₂]-triethyl phosphonoacetate 
• 326794-15-4 C₉⁽¹³⁾C₂H₉⁽²⁾H₅O₃ 
• 90830-64-1 (ethoxycarbonyl<13C>methyliden)triphenylphosphorane 
• 109376-35-4 (ethoxycarbonyl<13C>methyl)triphenylphosphonium bromide 
• 944385-48-2 ethyl 2-(4-methoxy phenyl)[1,2-¹³C₂]acetate 
• 1310742-32-5 C₉⁽¹³⁾C₂H₁₄O₄ 

Relevant articles and documents

Synthesis of 5-[4,5-13C2]- and 5-[1,5-13C2]aminolevulinic acid

5-[4,5-13C2]- and 5-[1,5-13C2]Aminolevulinic acid (ALA) have been synthesized by the Gabriel condensation of potassium phthalimide with ethyl bromo [1,2-13C2]acetate (derived from [1,2-13C2]acetic acid) or ethyl bromo[2-13C]-acetate (derived from sodium [2-13C]acetate), followed by conversion to the chloride, coupling reaction with 2-ethoxycarbonylethylzinc iodide derived from ethyl 3-iodopropionate or 2-methoxy[13C]carbonylethylzinc iodide derived from methyl 3-iodo[1-13C]propionate (generated from potassium [13C]cyanide), and hydrolysis. Copyright

The preparation of all-trans uniformly 13C-labeled retinal via a modular total organic synthetic strategy. Emerging central contribution of organic synthesis toward the structure and function study with atomic resolution in protein research

Uniformly [13C20]-labeled all-trans-retinal (1) has been prepared via a convergent modular total organic strategy with high isotope incorporation (>99%) and without isotope dilution starting from commercially available 99% enriched