N-Benzyloxycarbonyl-L-prolin

Benzyloxycarbonyl-L-proline

HCID 101987CAS 1148-11-4

Grundinformationen

Standard-SMILES
O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1
InChIKey
JXGVXCZADZNAMJ-NSHDSACASA-N
Summenformel
C13H15NO4
Durchschnittliche Molmasse
249,26 g/mol
Monoisotopische Masse
249,10010796

Überblick

an inhibitor of prolidase

Namen und Bezeichner

Bevorzugter Name
Benzyloxycarbonyl-L-proline
IUPAC
(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
Lokaler Name
N-Benzyloxycarbonyl-L-prolin
Englischer Name
N-Benzyloxycarbonyl-L-proline
Summenformel
C13H15NO4
Molmasse
249.26

Namen und Synonyme

1148-11-4CarbobenzoxyprolineBenzyloxycarbonyl-L-prolineCarbobenzoxy-S-prolineCbz-Procbz-prolineH2BS8M5FPP1,2-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl) ester, (S)-DTXSID40150856RefChem:829273DTXCID3073347Z-Pro-OH
Weitere Namen anzeigen
CBZ-PRO-OHZ-ProCBZ-L-PROLINECBZ-L-ProZ-L-PRO-OHZ-PROLINECBZ-L-Pro-OH
N-Benzyloxycarbonyl-L-prolineZ-L-ProlineN-CBZ-L-PROLINEN-Carbobenzoxy-L-proline114-11-4BenzyloxycarbonylprolineCarbobenzyloxy-L-prolineMFCD00003170

Datenbank-Bezeichner

CAS
1148-11-4
PubChem CID
101987
DTXSID
DTXSID40150856
ChEMBL
CHEMBL3276375
UNII
H2BS8M5FPP
EC Number
214-557-4
Nikkaji
J25.953E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,7
Polarare Oberfläche (TPSA)
66,8 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
4
Schwere Atome
18

Physikochemische Eigenschaften

Schmelzpunkt
75 · 75-77 °C
Siedepunkt
392.36 °C · 392.36°C (rough estimate)
Dichte
1.1952 · 1.1952 (rough estimate)
Brechungsindex
-40 ° · -40 ° (C=2, EtOH)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
Solubility in methanol, almost transparency.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 37.5% (3 of 8) of reports.

Danger

H315 (37.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (37.5%)

Sicherheitsdaten

wgk
3
hs_code
29339900
RTECS-Nr.
UY0745000
risk_code
62-36/37/38-20/21/22
hazard_code
Xn
safety_code
22-24/25-36-26

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenN-(Benzyloxycarbonyl)-L-proline is a potent in vitro and in vivo inhibitor of prolidase; a specific peptidase that cleaves dipeptides with a C-terminal prolyl and hydroxylprolyl residue. It is also used in the synthesis of N-(L-Prolyl)-β-alanine which is a derivative of the naturally occurring beta amino acid β-Alanine.

Darstellung · 1 Eintrag

synthetischeCaution! All procedures must be carried out in an efficient fume cupboard, wearing latex gloves and chemical-proof safety goggles. ι-Proline (10.0 g, 8.7 mmol) was dissolved in 2 m sodium hydroxide solution (40 mL), and the solution was cooled to ice-water temperature. Z-Cl (20.5 g, 12 mmol) was added portionwise, with vigorous stirring or occasional shaking, over a period of 30 min at 0–5 °C to the solution of l-proline. The ice bath was then removed and stirring or occasional shaking was continued for 30 min while the reaction mixture warmed to room temperature. The mixture was then acidified to Congo red by the gradual addition of concentrated hydrochloric acid, and the oil was extracted into ethyl acetate. The extract was dried over magnesium sulfate, the mixture was filtered, and the filtrate was concentrated in vacuo. The residue was extracted/triturated with warm tetrachloromethane. The washings were decanted and the residue was further purified by recrystallization from ethyl acetate/petroleum ether.

Anbieter50 Anbieter

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
扬州旭达生物科技有限公司15161820588; 15161820588 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

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