tert-butyl N-(1-(hydroxymethyl)cyclopropyl)carbamate

HCID 11286907

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Grundinformationen

CAS: 107017-73-2
Standard-SMILES: CC(C)(C)OC(=O)NC1(CO)CC1
InChIKey: HFMAZNJKNNRONT-UHFFFAOYSA-N
Summenformel: C9H17NO3
Durchschnittliche Molmasse: 187,24 g/mol
Monoisotopische Masse: 187,1208434

Namen und Bezeichner

Bevorzugter Name: tert-butyl N-(1-(hydroxymethyl)cyclopropyl)carbamate
IUPAC: tert-butyl N-[1-(hydroxymethyl)cyclopropyl]carbamate
Englischer Name: tert-Butyl (1-(hydroxymethyl)cyclopropyl)carbamate
Summenformel: C9H17NO3
Molmasse: 187.24

Namen und Synonyme

Tert-butyl N-[1-(hydroxymethyl)cyclopropyl]carbamatetert-butyl N-(1-(hydroxymethyl)cyclopropyl)carbamateRefChem:895281848-817-9107017-73-2tert-Butyl (1-(hydroxymethyl)cyclopropyl)carbamateN-BOC-1-Amino-cyclopropanemethanol1-(Boc-amino)cyclopropylmethanolTERT-BUTYL 1-(HYDROXYMETHYL)CYCLOPROPYLCARBAMATEMFCD09749954tert-butyl [1-(hydroxymethyl)cyclopropyl]carbamate[1-(tert-Butoxycarbonylamino)cyclopropyl]methanol

Weitere Namen anzeigen

SKL325Boc-ACPC-olBoc-1-AmnocyclopropylmethanolBoc-1-AminocyclopropylmethanolBoc-1-aminocyclopropane methanolN-Boc-1-AMinocyclopropylMethanol

Carbamic acid, [1-(hydroxymethyl)cyclopropyl]-, 1,1-dimethylethyl esterSY011131N-Boc-1-amino-1-hydroxymethylcyclopropanetert-butyl (1-(hydroxymethyl) cyclopropyl)carbamate[1-(Boc-amino)cyclopropyl]methanolSCHEMBL56916DTXSID90461202HFMAZNJKNNRONT-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 107017-73-2
PubChem CID: 11286907
DTXSID: DTXSID90461202
EC Number: 848-817-9
Nikkaji: J1.413.023C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 58,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 13
Formalladung: 0
Komplexität: 203

Physikochemische Eigenschaften

Schmelzpunkt: 81 to · 81.0 to 85.0 °C
Siedepunkt: 294.5 · 294.5±9.0 °C(Predicted)
Dichte: 1.11 · 1.11±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 12.24 · 12.24±0.20(Predicted)
Farbe: White to Orange to Green
InChI: InChI=1S/C9H17NO3/c1-8(2,3)13-7(12)10-9(6-11)4-5-9/h11H,4-6H2,1-3H3,(H,10,12)
InChIKey: HFMAZNJKNNRONT-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NC1(CO)CC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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, 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)

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

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code: 2924297099

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenTert-Butyl (1-(hydroxymethyl)cyclopropyl)carbamate could be converted into spirocyclopropanated analogues 14-CP and 14-CT of the insecticide Thiacloprid [1]. It can also be transformed into spirocyclopropanated analogs of Imidacloprid. This compound could be used to synthesize spirocyclopropanated five-membered ring analog 4-(3,5-Dichlorophenyl)-N-isopropyl-5-oxo-4,6-diazaspiro- [2.4]heptane-6-carboxamide[2].