1-Carbobenzoxy-4-piperidinecarboxylic Acid

HCID 736489CAS 10314-98-4

Grundinformationen

Standard-SMILES
O=C(O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIKey
URTPNQRAHXRPMP-UHFFFAOYSA-N
Summenformel
C14H17NO4
Durchschnittliche Molmasse
263,29 g/mol
Monoisotopische Masse
263,11575802

Namen und Bezeichner

Bevorzugter Name
1-Carbobenzoxy-4-piperidinecarboxylic Acid
IUPAC
1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
Englischer Name
1-[(Benzyloxy)carbonyl]piperidine-4-carboxylic acid
Summenformel
C14H17NO4
Molmasse
263.29

Namen und Synonyme

1-Carbobenzoxy-4-piperidinecarboxylic AcidRefChem:431138674-532-210314-98-41-[(Benzyloxy)carbonyl]piperidine-4-carboxylic acidN-Cbz-4-piperidinecarboxylic acid1-((benzyloxy)carbonyl)piperidine-4-carboxylic acid1-cbz-piperidine-4-carboxylic acid1-CBZ-4-piperidinecarboxylic acid1-Benzyloxycarbonylpiperidine-4-carboxylic acidMFCD015687591-(Benzyloxycarbonyl)piperidine-4-carboxylic acid
Weitere Namen anzeigen
Z-INP-OHZ-NIP-OHZ-PIC(4)-OHCbz-DL-Inp-OHBUTTPARK 75\50-27RARECHEM AL BE 0487TIMTEC-BB SBB003079Z-ISONIPECOTIC ACIDN-CBZ-ISONIPECOTIC ACID
1-[(benzyloxy)carbonyl]-4-piperidinecarboxylic acidpiperidine-1,4-dicarboxylic acid monobenzyl ester1-phenylmethoxycarbonylpiperidine-4-carboxylic acid1-Carbobenzoxyisonipecotic Acid1-(benzyloxycarbonyl)isonipecotic acidC2563Piperidine-1,4-dicarboxylic acid benzyl ester1-[(benzyloxy)carbonyl]-4-piperidine carboxylic acid

Datenbank-Bezeichner

CAS
10314-98-4
PubChem CID
736489
ChEMBL
CHEMBL1428992
EC Number
674-532-2
Nikkaji
J2.484.793D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,6
Polarare Oberfläche (TPSA)
66,8 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
4
Schwere Atome
19

Physikochemische Eigenschaften

Schmelzpunkt
78 °C · 78 °C
Siedepunkt
443.9 · 443.9±45.0 °C(Predicted)
Dichte
1.265 · 1.265±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
soluble in Methanol
Aggregatzustand
powder to crystal

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302+H312+H332 (16.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 6 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 CategoriesAcute Tox. 4 (16.7%);Acute Tox. 4 (16.7%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (16.7%);STOT SE 3 (83.3%)

Sicherheitsdaten

hs_code
29333990
risk_code
36/37/38-36
hazard_code
Xi
safety_code
26-36/37/39-37/39
hazard_class
IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-[(Benzyloxy)carbonyl]piperidine-4-carboxylic acid serves as a precursor for synthesizing benzyl 4-{[(2-cyano-4,5-dimethoxyphenyl)amino]carbonyl}piperidine-1-carboxylate via reaction with 2-amino-4,5-dimethoxybenzonitrile, where the acid is first treated with oxalyl chloride and DMF in dichloromethane to form an intermediate[1].

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

Zugehörige Reaktionen

329

Verknüpfte Notizen

Wird geladen…