Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate - CAS 20303-31-5
Catalog: |
BB015785 |
Product Name: |
Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate |
CAS: |
20303-31-5 |
Synonyms: |
benzyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
IUPAC Name: | benzyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
Description: | Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate (CAS# 20303-31-5) is a useful research chemical compound. |
Molecular Weight: | 315.36 |
Molecular Formula: | C18H21NO4 |
Canonical SMILES: | CC1=C(NC(=C1CCC(=O)OC)C)C(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C18H21NO4/c1-12-15(9-10-16(20)22-3)13(2)19-17(12)18(21)23-11-14-7-5-4-6-8-14/h4-8,19H,9-11H2,1-3H3 |
InChI Key: | KCXNIAMRWFWMOX-UHFFFAOYSA-N |
Boiling Point: | 468.8 °C at 760 mmHg |
Density: | 1.175 g/cm3 |
Appearance: | Off-white powder |
MDL: | MFCD00010681 |
LogP: | 3.09410 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2010197031-A1 | Functionalized expanded porphyrins | 20070629 |
US-8580845-B2 | Functionalized expanded porphyrins | 20070629 |
WO-2009006075-A2 | Functionalized expanded porphyrins | 20070629 |
US-2008242857-A1 | Process For Preparing Porphyrin Derivatives, Such As Protoporphyrin (IX) And Synthesis Intermediates | 20070330 |
US-8026358-B2 | Process for preparing porphyrin derivatives, such as protoporphyrin (IX) and synthesis intermediates | 20070330 |
Complexity: | 406 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 315.14705815 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 315.14705815 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 68.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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