Di-tert-butylbicarbamat

Di-tert-butyl bicarbamate

HCID 85431CAS 16466-61-8

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Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)NNC(=O)OC(C)(C)C
InChIKey: TYSZETYVESRFNT-UHFFFAOYSA-N
Summenformel: C10H20N2O4
Durchschnittliche Molmasse: 232,28 g/mol
Monoisotopische Masse: 232,14230712

Namen und Bezeichner

Bevorzugter Name: Di-tert-butyl bicarbamate
IUPAC: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
Lokaler Name: Di-tert-butylbicarbamat
Englischer Name: Di-tert-butyl hydrazodicarboxylate
Summenformel: C10H20N2O4
Molmasse: 232.28

Namen und Synonyme

16466-61-8Di-tert-butyl bicarbamateEINECS 240-512-3DTXSID70167790RefChem:586104DTXCID2090281240-512-3DI-TERT-BUTYL HYDRAZODICARBOXYLATEDi-tert-butyl hydrazine-1,2-dicarboxylateDi-tert-butyl hydrazodiformateMFCD00015000tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate

Weitere Namen anzeigen

1,2-bis(t-butyloxycarbonyl)hydrazineDBHDSKL269N,N'-DI-BOC-HYDRAZINELABOTEST-BB LT00453977TERT-BUTYL HYDRAZODIFORMATEDi-t-butylhydrazodicarboxylate

tert-butyl N-(tert-butoxycarbonylamino)carbamateDL-tert-Butyl HydrazodicarboxylateSCHEMBL2841411,2-Hydrazinedicarboxylic acid, bis(1,1-dimethylethyl) ester1,2-Hydrazinedicarboxylic acid, 1,2-bis(1,1-dimethylethyl) esterN'-[(tert-butoxy)carbonyl](tert-butoxy)carbohydrazideAKOS015899816CS-W001467

Datenbank-Bezeichner

CAS: 16466-61-8
PubChem CID: 85431
DTXSID: DTXSID70167790
EC Number: 240-512-3
Nikkaji: J318.200B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 76,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 16
Formalladung: 0
Komplexität: 235

Physikochemische Eigenschaften

Schmelzpunkt: 123 · 123-126 °C (dec.)(lit.)
Siedepunkt: 294.6 · 294.6±9.0 °C(Predicted)
Dichte: 1.064 · 1.064±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 8.73 · 8.73±0.43(Predicted)
Aggregatzustand: Powder or Crystalline Powder
Farbe: White
Wasserlöslichkeit: Insoluble in water.
BRN: 1794023 · 1794023
InChI: InChI=1S/C10H20N2O4/c1-9(2,3)15-7(13)11-12-8(14)16-10(4,5)6/h1-6H3,(H,11,13)(H,12,14)
InChIKey: TYSZETYVESRFNT-UHFFFAOYSA-N
SMILES: N(C(OC(C)(C)C)=O)NC(OC(C)(C)C)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29280000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenDi-tert-butyl hydrazodicarboxylate, is used as starting reagent during the four-step synthesis of the aminobicyclopyrazolone hydrochloride. It was used as reagent during Pd-catalyzed amination reactions of halo-pyridine substrates.