Methyl 4-Bromopyrrole-2-carboxylate - CAS 934-05-4
Catalog: |
BB040908 |
Product Name: |
Methyl 4-Bromopyrrole-2-carboxylate |
CAS: |
934-05-4 |
Synonyms: |
4-bromo-1H-pyrrole-2-carboxylic acid methyl ester; methyl 4-bromo-1H-pyrrole-2-carboxylate |
IUPAC Name: | methyl 4-bromo-1H-pyrrole-2-carboxylate |
Description: | Methyl 4-Bromopyrrole-2-carboxylate (CAS# 934-05-4) is a useful synthetic intermediate. It is used to synthesize potent melanin-concentrating hormone (MCH-R1) antagonists based on pyrazolopiperazinone. |
Molecular Weight: | 204.02 |
Molecular Formula: | C6H6BrNO2 |
Canonical SMILES: | COC(=O)C1=CC(=CN1)Br |
InChI: | InChI=1S/C6H6BrNO2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,1H3 |
InChI Key: | ZXFCRVGOHJHZNF-UHFFFAOYSA-N |
Boiling Point: | 290.5 °C at 760 mmHg |
Density: | 1.674 g/cm3 |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD00832855 |
LogP: | 1.56380 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22884431 | 20121001 | Molecular cloning, structure, and reactivity of the second bromoperoxidase from Ascophyllum nodosum | Bioorganic chemistry |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.95819 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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