Cyclopropanecarboxylic acid - CAS 1759-53-1
Catalog: |
BB013185 |
Product Name: |
Cyclopropanecarboxylic acid |
CAS: |
1759-53-1 |
Synonyms: |
cyclopropanecarboxylic acid |
IUPAC Name: | cyclopropanecarboxylic acid |
Description: | Cyclopropanecarboxylic acid (CAS# 1759-53-1) is used as a reagent in the synthesis of substituted 4-(thiophen-2-ylmethyl)-2H-phthalazin-1-ones as potent PARP-1 inhibitors. Also used as a reagent in the synthesis of 2-alkyloxazoles as potent and selective PI4KIIIβ inhibitors demonstrating inhibition of HCV replication. |
Molecular Weight: | 86.09 |
Molecular Formula: | C4H6O2 |
Canonical SMILES: | C1CC1C(=O)O |
InChI: | InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6) |
InChI Key: | YMGUBTXCNDTFJI-UHFFFAOYSA-N |
Boiling Point: | 182-184 °C |
Melting Point: | 17-19 °C |
Flash Point: | 71°C |
Purity: | > 98.0 % (GC) |
Density: | 1.085 g/cm3 |
Appearance: | Clear colourless to light yellow liquid |
Storage: | 0-6 °C |
MDL: | MFCD00001287 |
LogP: | 0.48100 |
Refractive Index: | 1.437-1.439 |
Stability: | Stable under normal temperatures and pressures. |
Vapor Pressure: | 0.362mmHg at 25°C |
GHS Hazard Statement: | H302 (82.61%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P273, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P314, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-110200004-A | A kind of compound drug composition for preventing and treating Bemisia tabaci, melon aphid | 20190704 |
CN-110250188-A | A kind of medicament composition for preventing and treating Bemisia tabaci, melon aphid | 20190704 |
CN-105566021-A | Preparation method of alpha, beta-unsaturated carboxylic acid compounds | 20151230 |
US-2016108026-A1 | Aldosterone synthase inhibitors | 20141015 |
US-2016052930-A1 | Aminopyrimidinyl compounds | 20140821 |
PMID | Publication Date | Title | Journal |
22832742 | 20120914 | Enantio- and diastereocontrolled conversion of chiral epoxides to trans-cyclopropane carboxylates: application to the synthesis of cascarillic acid, grenadamide and L-(-)-CCG-II | Organic & biomolecular chemistry |
22134500 | 20120118 | Stereoselective synthesis of sugar fused β-disubstituted γ-butyro-lactones: C-spiro-glycosides from 1,2-cyclopropanecarboxylated sugars | Chemical communications (Cambridge, England) |
22348025 | 20120101 | Microbial detoxification of bifenthrin by a novel yeast and its potential for contaminated soils treatment | PloS one |
22059375 | 20111214 | Pd(II)-catalyzed enantioselective C-H activation of cyclopropanes | Journal of the American Chemical Society |
21761870 | 20110810 | Cyclopropanation with gold(I) carbenes by retro-Buchner reaction from cycloheptatrienes | Journal of the American Chemical Society |
Complexity: | 73.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 86.036779430 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 86.036779430 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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