[1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid
Grundinformationen
- CAS
157688-46-5- Standard-SMILES
CC(C)(C)OC(=O)N1CCC(CC(=O)O)CC1- InChIKey
ZXFLMSIMHISJFV-UHFFFAOYSA-N- Summenformel
- C12H21NO4
- Durchschnittliche Molmasse
- 243,3 g/mol
- Monoisotopische Masse
- 243,14705815
Namen und Bezeichner
- Bevorzugter Name
- [1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid
- IUPAC
- 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
- Englischer Name
- 1-Boc-4-piperidylacetic acid
- Summenformel
- C12H21NO4
- Molmasse
- 243.3
Namen und Synonyme
157688-46-5[1-(tert-butoxycarbonyl)piperidin-4-yl]acetic acidDTXSID70363715(1-(tert-Butoxycarbonyl)piperidin-4-yl)acetic acidRefChem:204409DTXCID70314762634-931-41-Boc-4-piperidylacetic acid1-Boc-piperidin-4-ylacetic acid2-(1-(tert-butoxycarbonyl)piperidin-4-yl)acetic acid1-Boc-4-piperidineacetic acid2-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}acetic acid
Weitere Namen anzeigen
2-(1-Boc-piperidin-4-yl)acetic acidBOC-CMPBOC-CMP-OHBOC-CMP(4)-OHRARECHEM EM WB 0085Valine Impurity 117BOC-PIC(4, C*CH2)-OH
N-Boc-4-piperidineacetic acidMFCD00800239Boc-4-carboxymethyl-piperidine2-(1-tert-butoxycarbonyl-4-piperidyl)acetic acid1-boc-4-piperidine acetic acid1-(tert-Butoxycarbonyl)-4-piperidylacetic Acid2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid4-carboxymethyl-piperidine-1-carboxylic acid tert-butyl ester
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 66,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 287
Physikochemische Eigenschaften
- Schmelzpunkt
- 96 · 96-98°C
- Siedepunkt
- 373 · 373.0±15.0 °C(Predicted)
- Dichte
- 1.121 · 1.121±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- soluble in Methanol
- pka
- 4.66 · 4.66±0.10(Predicted)
- Aggregatzustand
- Powder, Solid or Crystalline Powder
- Farbe
- Yellow to brown
- BRN
- 7028968 · 7028968
- InChI
- InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-6-4-9(5-7-13)8-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
- InChIKey
- ZXFLMSIMHISJFV-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(CC(O)=O)CC1
- CAS Datenbank
- 157688 · 157688-46-5(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 (97.7%): 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 44 reports by companies from 7 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-36/37/39
- hazard_class
- IRRITANT
Chemie und Industrie
Anwendungen
Verwenden1-Boc-4-piperidylacetic acid is a pharmaceutical intermediate compound used in the preparation of drugs such as Lonafarnib or Tirofiban hydrochloride.Lonafarnib is a potent farnesyltransferase inhibitor used to reduce the mortality rate associated with Hutchinson-Guilford premature aging syndrome (HGPS) ) and other classes of progeria-related mortality. And Tirofiban hydrochloride is an antiplatelet drug.
Anbieter100 Anbieter
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
南部县诚信科技有限公司0838-5675166 15883665058 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司
Zugehörige Reaktionen
66
Notizen zur Verbindung
Wird geladen…