Pyroglutaminol - CAS 17342-08-4
Catalog: |
BB012919 |
Product Name: |
Pyroglutaminol |
CAS: |
17342-08-4 |
Synonyms: |
(S)-5-(Hydroxymethyl)-2-pyrrolidinone; (S)-(+)-5-hydroxymethyl-2-pyrrolidinone; (S)-(+)-5-(Hydroxymethyl)-2-pyrrolidinone |
IUPAC Name: | (5S)-5-(hydroxymethyl)pyrrolidin-2-one |
Description: | A building block for the synthesis of (R)- and (S)-diaminovaleric acids. |
Molecular Weight: | 115.12 |
Molecular Formula: | C5H9NO2 |
Canonical SMILES: | C1CC(=O)NC1CO |
InChI: | InChI=1S/C5H9NO2/c7-3-4-1-2-5(8)6-4/h4,7H,1-3H2,(H,6,8)/t4-/m0/s1 |
InChI Key: | HOBJEFOCIRXQKH-BYPYZUCNSA-N |
Boiling Point: | 346 °C at 760 mmHg, 147-149 °C / 0.06 mmHg |
Melting Point: | 79-80 °C (lit.) |
Purity: | ≥ 98 % |
Density: | 1.153 g/cm3 |
Appearance: | White solid |
Storage: | Store at 2-8 °C |
MDL: | MFCD00077792 |
LogP: | -0.41390 |
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 |
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PMID | Publication Date | Title | Journal |
17451274 | 20070525 | Total synthesis of (-)-stemoamide | The Journal of organic chemistry |
16392801 | 20060112 | Rational design and enantioselective synthesis of (1R,4S,5R,6S)-3-azabicyclo[3.3.0]octane-4,6-dicarboxylic acid - a novel inhibitor at human glutamate transporter subtypes 1, 2, and 3 | Journal of medicinal chemistry |
15497982 | 20041029 | Diastereoselective syntheses of deoxydysibetaine, dysibetaine, and its 4-epimer | The Journal of organic chemistry |
15054238 | 20040101 | Catalytic hydrogenation of glutamic acid | Applied biochemistry and biotechnology |
11796046 | 20020124 | Stereoselective formal synthesis of pseudodistomin C | Organic letters |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 115.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 115.063328530 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1 |
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