2-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)-1,3-thiazole-4-carboxylic acid

HCID 2795531
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Grundinformationen

CAS
365413-00-9
Standard-SMILES
CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)O)cs2)CC1
InChIKey
KIRRXZPLONWSFO-UHFFFAOYSA-N
Summenformel
C14H20N2O4S
Durchschnittliche Molmasse
312,39 g/mol
Monoisotopische Masse
312,1143783

Namen und Bezeichner

Bevorzugter Name
2-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)-1,3-thiazole-4-carboxylic acid
IUPAC
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid
Englischer Name
2-(1-(tert-butoxycarbonyl)piperidin-4-yl)thiazole-4-carboxylic acid
Summenformel
C14H20N2O4S
Molmasse
312.38

Namen und Synonyme

2-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1,3-thiazole-4-carboxylic acid1-(1,1-Dimethylethyl) 4-(4-carboxy-2-thiazolyl)-1-piperidinecarboxylate1-(1,1-dimethylethyl) 4-[4-carboxy-2-thiazolyl]-1-piperidinecarboxylate2-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)-1,3-thiazole-4-carboxylic acidRefChem:450626823-900-2365413-00-92-(1-(tert-Butoxycarbonyl)piperidin-4-yl)thiazole-4-carboxylic acid2-[1-(tert-Butoxycarbonyl)-4-Piperidinyl]-1,3-Thiazole-4-Carboxylic Acid2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acidMFCD066589802-[1-(tert-butoxycarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid
Weitere Namen anzeigen
2-(Piperdin-4-yl)-1,3-thiazole-4-carboxylic acid, N2-BOC protected2-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-4-thiazolecarboxylic acid1-Piperidinecarboxylic acid, 4-(4-carboxy-2-thiazolyl)-, 1-(1,1-dimethylethyl) ester2-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-1,3-thiazole-4-carboxylic acid - [AC79872]
2-(1-Boc-4-piperidyl)thiazole-4-carboxylic Acidtert-Butyl 4-(4-carboxythiazol-2-yl)piperidine-1-carboxylateSCHEMBL419123DTXSID70383751KIRRXZPLONWSFO-UHFFFAOYSA-NTBB484452-(1-(tert-Butoxycarbonyl)piperidin-4-yl)thiazole-4-carboxylicacidAKOS005073642

Datenbank-Bezeichner

CAS
365413-00-9
PubChem CID
2795531
DTXSID
DTXSID70383751
EC Number
823-900-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,3
Polarare Oberfläche (TPSA)
108 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
4
Schwere Atome
21

Physikochemische Eigenschaften

Schmelzpunkt
162 · 162-166℃
Siedepunkt
471.9 · 471.9±35.0 °C(Predicted)
Dichte
1.279 · 1.279±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
3.93 · 3.93±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

risk_code
22-36/37/38
hazard_code
Xn
safety_code
22-26-36/37/39

Chemie und Industrie

Anbieter14 Anbieter

苏州合森医药科技有限公司17621975170; 17621975170 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
杭州扬德医药科技有限公司0571-81953185 +86-15381198709 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
上海威芬奇医药科技有限公司13817485796 · [email protected]

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