Methyl D-prolinate hydrochloride
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Grundinformationen
- CAS
65365-28-8- Standard-SMILES
COC(=O)[C@H]1CCCN1.Cl- InChIKey
HQEIPVHJHZTMDP-NUBCRITNSA-N- Summenformel
- C6H12ClNO2
- Durchschnittliche Molmasse
- 165,62 g/mol
- Monoisotopische Masse
- 165,0556563
Namen und Bezeichner
- Bevorzugter Name
- Methyl D-prolinate hydrochloride
- IUPAC
- methyl (2R)-pyrrolidine-2-carboxylate;hydrochloride
- Englischer Name
- Methyl pyrrolidine-2-carboxylate hydrochloride
- Summenformel
- C6H12ClNO2
- Molmasse
- 165.62
Namen und Synonyme
65365-28-8Methyl D-prolinate hydrochlorideD-Proline, methyl ester, hydrochloride(R)-proline methyl ester hydrochlorideMethyl (R)-pyrrolidine-2-carboxylate hydrochlorideMethyl proline hydrochloride, (R)-C15EPU1M46methyl (2R)-pyrrolidine-2-carboxylate hydrochlorideD-Proline, methyl ester, hydrochloride (1:1)RefChem:817705613-785-5D-Proline Methyl Ester Hydrochloride
Weitere Namen anzeigen
D-PRO-OMED-Pro-Ome.HclH-D-Pro-OMe96.0%(N&H-D-PRO-OME HCLD-PROLINE-OME HCLMethyl pyrrolidine-2H-D-Pro-OMe·HCl (Solid)
H-D-Pro-OMe.HCl(R)-methyl pyrrolidine-2-carboxylate hydrochlorideH-D-PRO-OME HCLMFCD00083685D-Proline Methyl Ester HClUNII-C15EPU1M46H-D-Pro.OMe.HClVildagliptin Impurity 82
Datenbank-Bezeichner
- CAS
65365-28-8- PubChem CID
- 44629857
- DTXSID
DTXSID50659784- UNII
- C15EPU1M46
- EC Number
- 613-785-5、690-926-7
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 38,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 114
Physikochemische Eigenschaften
- Schmelzpunkt
- 69 · 69-71°C
- Brechungsindex
- 32 ° · 32 ° (C=1, H2O)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Methanol (Slightly), Water (Slightly, Sonicated)
- Aggregatzustand
- Powder or Crystalline Powder
- Farbe
- White
- BRN
- 4714125 · 4714125
- Major Application
- peptide synthesis
- InChI
- 1S/C6H11NO2.ClH/c1-9-6(8)5-3-2-4-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m1./s1
- InChIKey
- HQEIPVHJHZTMDP-NUBCRITNSA-N
- SMILES
- Cl.COC(=O)[C@H]1CCCN1
- CAS Datenbank
- 65365 · 65365-28-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and Categories
Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (88.9%)
Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/38-36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-28
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenD-Proline Methyl Ester is a methyl ester of D-Proline (P755990) which is used in the synthesis of (R)-(+)-N-Boc-Pipecolic Acid, (S)-(-)-Coniine, (S)-(+)-Pelletierine, (+)-.beta.-Conhydrine, and (S)-(-)-Ropivacaine and formal synthesis of (-)-Lasubine II and (+)-Cermizine C.
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