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Benzoyl chloride → Benzoyl isothiocyanate

HRID 876100
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 876100
[C:1]([NH:9][C:10](N)=[S:11])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[S-]C#N.[NH4+].C(Cl)(=O)C1C=CC=CC=1>ClCCl>[C:1]([N:9]=[C:10]=[S:11])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

5

Edukt 3

HCID 7412Benzoyl chlorideHCID 15666Ammonium thiocyanateHCID 2735473Benzoylthiourea

Produkt 1

HCID 68284Benzoyl isothiocyanate

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 6344DichloromethaneLösungsmittel2×

Reaktionsbedingungen

Temperatur
12.5 °C

Versuchsvorschrift

Benzoyl isothiocyanate was prepared as a starting material for benzoyl thiourea and derivatives thereof. In a 500 mL three-neck round-bottom flask (“RBF”), fitted with a condenser, thermo-probe, sealed system nitrogen purge, pressure-equilibrated addition funnel and mechanical stirrer, were placed solid ammonium thiocyanate (16.9 g, 0.22 mol) and dichloromethane (100 mL). The stirred mixture was cooled in an ice-water bath to a temperature of about 10-15° C. To the stirred mixture was added a solution of benzoyl chloride (28.4 g, 0.2 mol) in dichloromethane (50 mL) over a period of time of 20 minutes and the reaction mixture was warmed to a temperature near reflux (39° C.) for a period of time of 1 hour. Reaction completion was confirmed by FT-IR analysis. The solution was then cooled to a temperature of about 10-15° C. The solution can be concentrated to an oil to provide the benzoyl isothiocyanate. A boiling point of 128-131° C. at 15 mm Hg was measured.

Aufarbeitung

  1. customIn a 500 mL three-neck round-bottom flask (“RBF”), fitted with a condenser
  2. customthermo-probe, sealed system nitrogen
  3. custompurge
  4. custompressure-equilibrated addition funnel and mechanical stirrer, were placed
  5. temperaturethe reaction mixture was warmed to a temperature
  6. temperaturenear reflux (39° C.) for a period of time of 1 hour
  7. customReaction completion
  8. temperatureThe solution was then cooled to a temperature of about 10-15° C
  9. concentrationThe solution can be concentrated to an oil

Quellen und Nachweise

ORD-Eintrag
ord-aebaf9227fe945fc987621a4e6065eab
Quelldatensatz
uspto-grants-2015_03
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08986847B2

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