cyclic Isopropylidene 1,1-cyclopropanedicarboxylate - CAS 5617-70-9
Catalog: |
BB029282 |
Product Name: |
cyclic Isopropylidene 1,1-cyclopropanedicarboxylate |
CAS: |
5617-70-9 |
Synonyms: |
6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione |
IUPAC Name: | 6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione |
Description: | cyclic Isopropylidene 1,1-cyclopropanedicarboxylate (CAS# 5617-70-9) is used as a reagent to synthesize Bis-benzimidazoles, compounds that act as inhibitors of Type II Dihydrofolate reductase (an enzyme that is produced by bacteria in response to Trimethoprim [T795615]as a defense mechanism). |
Molecular Weight: | 170.16 |
Molecular Formula: | C8H10O4 |
Canonical SMILES: | CC1(OC(=O)C2(CC2)C(=O)O1)C |
InChI: | InChI=1S/C8H10O4/c1-7(2)11-5(9)8(3-4-8)6(10)12-7/h3-4H2,1-2H3 |
InChI Key: | AXJVPXNVESYGDT-UHFFFAOYSA-N |
Boiling Point: | 396.8 °C at 760 mmHg |
Density: | 1.29 g/cm3 |
Appearance: | Light yellow powder |
MDL: | MFCD00042796 |
LogP: | 0.60270 |
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 |
WO-2021001328-A1 | Process for manufacturing (s)-3-hydroxy-1-(1h-indol-5-yl)-2-oxo-pyrrolidine-3-carboxylic acid 3,5-difluoro-benzylamide | 20190703 |
WO-2020231990-A1 | Fgfr inhibitors and methods of use thereof | 20190513 |
WO-2019032632-A1 | ALKYLPHENYL COMPOUNDS | 20170809 |
US-11046646-B2 | Alkylphenyl compounds | 20170809 |
US-2021147357-A1 | Alkylphenyl compounds | 20170809 |
PMID | Publication Date | Title | Journal |
16838850 | 20060101 | Improved industrial syntheses of penciclovir and famciclovir using N2-acetyl-7-benzylguanine and a cyclic side chain precursor | Nucleosides, nucleotides & nucleic acids |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.05790880 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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