3-(4-Chlorobenzoyl)propionic acid - CAS 3984-34-7
Catalog: |
BB024155 |
Product Name: |
3-(4-Chlorobenzoyl)propionic acid |
CAS: |
3984-34-7 |
Synonyms: |
4-(4-chlorophenyl)-4-oxobutanoic acid |
IUPAC Name: | 4-(4-chlorophenyl)-4-oxobutanoic acid |
Description: | NSC 5137, an aryl chloride, was studied in Pd-mediated Suzuki-Miyaura cross-coupling reactions with arylboronic acids, involving nucleophilic N-heterocyclic carbenes as ancilliary ligands. |
Molecular Weight: | 212.63 |
Molecular Formula: | C10H9ClO3 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)CCC(=O)O)Cl |
InChI: | InChI=1S/C10H9ClO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14) |
InChI Key: | AHVASTJJVAYFPY-UHFFFAOYSA-N |
Boiling Point: | 408.8 ℃ at 760 mmHg |
Melting Point: | 129-132 ℃ |
Purity: | 98 % |
Density: | 1.324 g/cm3 |
Appearance: | White to beige crystalline powder |
MDL: | MFCD00002794 |
LogP: | 2.38750 |
GHS Hazard Statement: | H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113214195-A | Method for asymmetrically synthesizing dihydrofuran 2- (3H) -ketone compound by nickel catalysis | 20210428 |
WO-2021154796-A1 | Glp-1r modulating compounds | 20200129 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
CN-109942473-B | Method for synthesizing lactam derivative without catalyst | 20190516 |
WO-2020228170-A1 | Catalyst-free synthesis method for lactam derivative | 20190516 |
PMID | Publication Date | Title | Journal |
20030509 | 20100201 | Antimicrobial activities of some synthetic butenolides and their pyrrolone derivatives | Journal of enzyme inhibition and medicinal chemistry |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.0240218 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.0240218 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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