Methyl trans-4-bromo-2-butenoate - CAS 6000-00-6
Catalog: |
BB030573 |
Product Name: |
Methyl trans-4-bromo-2-butenoate |
CAS: |
6000-00-6 |
Synonyms: |
0 |
IUPAC Name: | methyl (E)-4-bromobut-2-enoate |
Description: | Methyl trans-4-bromo-2-butenoate (CAS# 6000-00-6) is used as a reagent in the synthesis of several organic compounds including that of dimethoxy ketals and ketones via electrochemical oxidative decarboxylation of malonic acids. |
Molecular Weight: | 179.01 |
Molecular Formula: | 0 |
Canonical SMILES: | 0 |
InChI: | 0 |
InChI Key: | 0 |
Boiling Point: | 83-85 °C / 13 mmHg (lit.) |
Density: | 1.522 g/mL at 25°C(lit.) |
Appearance: | Colorless liquid |
LogP: | 1.11050 |
GHS Hazard Statement: | H314 (15.56%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021207291-A1 | Compounds and uses thereof | 20200406 |
CN-113493414-A | Deuterated substituted butene amide and preparation method and application thereof | 20200319 |
WO-2021175451-A1 | Cosmetic or pharmaceutical use of avenanthramide l | 20200306 |
US-2021225462-A1 | Method Of Synthesizing Chemical Compounds | 20200116 |
WO-2021114227-A1 | Amine-containing transfection reagent, preparation method therefor, and transfection complex | 20191213 |
PMID | Publication Date | Title | Journal |
22804107 | 20120803 | Ligand-free Suzuki coupling of arylboronic acids with methyl (E)-4-bromobut-2-enoate: synthesis of unconventional cores of HIV-1 protease inhibitors | Organic letters |
Complexity: | 98.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 177.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.96294 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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