1-Bromocarbonyl-1-methylethyl acetate - CAS 40635-67-4
Catalog: |
BB024598 |
Product Name: |
1-Bromocarbonyl-1-methylethyl acetate |
CAS: |
40635-67-4 |
Synonyms: |
(1-bromo-2-methyl-1-oxopropan-2-yl) acetate |
IUPAC Name: | (1-bromo-2-methyl-1-oxopropan-2-yl) acetate |
Description: | 1-Bromocarbonyl-1-methylethyl acetate (CAS# 40635-67-4) is used as a reagent in the preparation of didehydro-dideoxyinosine phosphoramidate produgs which have anticancer activity. |
Molecular Weight: | 209.04 |
Molecular Formula: | C6H9BrO3 |
Canonical SMILES: | CC(=O)OC(C)(C)C(=O)Br |
InChI: | InChI=1S/C6H9BrO3/c1-4(8)10-6(2,3)5(7)9/h1-3H3 |
InChI Key: | OOKAXSHFTDPZHP-UHFFFAOYSA-N |
Boiling Point: | 100-110 °C (25 mmHg) |
Purity: | 95 % |
Density: | 1.431 g/cm3 |
Appearance: | Clear liquid |
Storage: | 2-8 °C |
MDL: | MFCD00040923 |
LogP: | 1.24960 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-110963915-A | Preparation process of 2-acetoxy isobutyryl bromide | 20191113 |
US-10681318-B2 | Camera-assisted arbitrary surface characterization and slope-based correction | 20171114 |
US-10684537-B2 | Camera-assisted arbitrary surface characterization and correction | 20171114 |
US-2019146313-A1 | Camera-assisted arbitrary surface characterization and correction | 20171114 |
US-2019166339-A1 | Camera-assisted arbitrary surface characterization and slope-based correction | 20171114 |
PMID | Publication Date | Title | Journal |
12885123 | 20030401 | Synthesis of triazole nucleoside derivatives | Nucleosides, nucleotides & nucleic acids |
3820218 | 19870301 | Nucleic acid related compounds. 51. Synthesis and biological properties of sugar-modified analogues of the nucleoside antibiotics tubercidin, toyocamycin, sangivamycin, and formycin | Journal of medicinal chemistry |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.97351 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.97351 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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