Tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate (HCID 2764081)

Namen und Bezeichner

Bevorzugter Name: Tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate
IUPAC: tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate
Englischer Name: N-Boc-4-piperidinemethanol
Summenformel: C11H21NO3
Molmasse: 215.29

Namen und Synonyme

tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylateRefChem:893869639-271-0N-Boc-4-piperidinemethanol123855-51-61-Boc-4-piperidinemethanolMFCD020944881-N-Boc-4-hydroxymethyl-piperidineN-Boc-4-piperidinmethanolN-tert-Butyloxycarbonyl-4-piperidinemethanol1-PIPERIDINECARBOXYLIC ACID, 4-(HYDROXYMETHYL)-, 1,1-DIMETHYLETHYL ESTERtert-Butyl 4-(hydroxymethyl)-1-piperidinecarboxylate

Weitere Namen anzeigen

N-BOC-piperidine-4-methanolBOC-PIC(4)-OLBUTTPARK 75\50-52N-Boc-4-piperidineMeBoc-4-Piperidine methanolN-BOC-piperidin-4-MethanolBOC-ISONICOT(HEXAHYDRO)-OL

1-(tert-Butoxycarbonyl)-4-piperidinemethanolN-(tert-Butoxycarbonyl)-4-piperidinemethanol1-(tert-Butoxycarbonyl)-4-(hydroxymethyl)piperidine4-hydroxymethyl-piperidine-1-carboxylic acid tert-butyl estertert-butyl 4-(hydroxymethyl)piperidinecarboxylaten-boc-4-hydroxymethylpiperidine1-boc-4-hydroxymethyl-piperidinel-boc-piperidine-4-methanol

Datenbank-Bezeichner

CAS: 123855-51-6
PubChem CID: 2764081
DTXSID: DTXSID70377291
ChEMBL: CHEMBL4911781
EC Number: 639-271-0
Nikkaji: J3.014.454F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 49,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 214

Physikochemische Eigenschaften

Schmelzpunkt: 78 · 78-82 °C (lit.)
Siedepunkt: 308 · 308.0±15.0 °C(Predicted)
Dichte: 1.059 · 1.059±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
pka: 14.94 · 14.94±0.10(Predicted)
Aggregatzustand: Powder
Farbe: White to brown
InChI: InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12/h9,13H,4-8H2,1-3H3
InChIKey: CTEDVGRUGMPBHE-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(CO)CC1
CAS Datenbank: 123855 · 123855-51-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (80%): 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.；There are 4 notifications provided by 4 of 5 reports by companies with hazard statement code(s).；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 (80%)；Eye Irrit. 2A (80%)；STOT SE 3 (80%)

Sicherheitsdaten

wgk: 3
hs_code: 29339900
hazard_code: Xi
safety_code: 24/25
hazard_class: IRRITANT
Speicherklasse: 13 - Non Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenN-Boc-4-piperidinemethanol is an important piperidine derivative, which can be used in organic synthesis and pharmaceutical intermediates, It may be used to synthesize:methyl 5-methoxy-4-(1-methylpiperidin-4-ylmethoxy)-2-nitrobenzoateN-Boc-4-piperidinecarboxaldehyde[1-(tert-butoxycarbonyl)piperidin-4-yl]methyl methanesulfonateInvolved in the synthesis of bradycardic agents.