5-Boc-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylic Acid - CAS 1160248-35-0
Catalog: |
BB003688 |
Product Name: |
5-Boc-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylic Acid |
CAS: |
1160248-35-0 |
Synonyms: |
5-[(2-methylpropan-2-yl)oxy-oxomethyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid; 5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid |
IUPAC Name: | 5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid |
Description: | 5-Boc-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylic Acid (CAS# 1160248-35-0) is a useful research chemical. |
Molecular Weight: | 253.25 |
Molecular Formula: | C11H15N3O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2=C(C1)NN=C2C(=O)O |
InChI: | InChI=1S/C11H15N3O4/c1-11(2,3)18-10(17)14-4-6-7(5-14)12-13-8(6)9(15)16/h4-5H2,1-3H3,(H,12,13)(H,15,16) |
InChI Key: | SBFDXYJFMPRVOE-UHFFFAOYSA-N |
Boiling Point: | 480.11 °C at 760 mmHg |
Density: | 1.4 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.29650 |
Publication Number | Title | Priority Date |
AU-2015253232-A1 | Substituted 4-phenylpiperidines, their preparation and use | 20140430 |
EP-3137168-A1 | Substituted 4-phenylpiperidines, their preparaiton and use | 20140430 |
JP-2017514822-A | Substituted 4-phenylpiperidine, its preparation and use | 20140430 |
JP-6676541-B2 | Substituted 4-phenylpiperidines, their preparation and use | 20140430 |
US-10072016-B2 | Substituted 4-phenylpiperidines, their preparation and use | 20140430 |
Complexity: | 366 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.10625597 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.10625597 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 95.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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