Methyl Isoindoline-4-carboxylate Hydrochloride - CAS 127168-90-5
Catalog: |
BB006737 |
Product Name: |
Methyl Isoindoline-4-carboxylate Hydrochloride |
CAS: |
127168-90-5 |
Synonyms: |
2,3-dihydro-1H-isoindole-4-carboxylic acid methyl ester;hydrochloride; methyl 2,3-dihydro-1H-isoindole-4-carboxylate;hydrochloride |
IUPAC Name: | methyl 2,3-dihydro-1H-isoindole-4-carboxylate;hydrochloride |
Description: | Methyl Isoindoline-4-carboxylate Hydrochloride (CAS# 127168-90-5) is a useful synthetic intermediate in the synthesis of 2,3-Dihydro-1H-isoindole-4-carboxylic Acid (D450070); a compound that is used as a reagent in the synthesis of aminoalkylbenzoic acid derivatives for the treatment of faintness attacks, hypokinesia, cranial disorders, neurodegenerative disorders, depression, anxiety, neuropathic pain, neuropathological disorders and sleep disorders. |
Molecular Weight: | 213.66 |
Molecular Formula: | C10H12ClNO2 |
Canonical SMILES: | COC(=O)C1=C2CNCC2=CC=C1.Cl |
InChI: | InChI=1S/C10H11NO2.ClH/c1-13-10(12)8-4-2-3-7-5-11-6-9(7)8;/h2-4,11H,5-6H2,1H3;1H |
InChI Key: | ZEOILCADGXBXQW-UHFFFAOYSA-N |
Boiling Point: | 345.6 °C at 760 mmHg |
MDL: | MFCD10700133 |
LogP: | 2.20720 |
GHS Hazard Statement: | H302 (100%): 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 |
WO-2019204550-A1 | Isoindolines as hdac inhibitors | 20180420 |
AU-2019256422-A1 | Isoindolines as HDAC inhibitors | 20180420 |
BR-112020021353-A2 | ISOINDOLINS AS HDAC INHIBITORS | 20180420 |
CN-112292370-A | Isoindolines as HDAC inhibitors | 20180420 |
EP-3784654-A1 | Isoindolines as hdac inhibitors | 20180420 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.0556563 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.0556563 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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