Structure

4-Morpholinecarbonitrile

CAS
1530-89-8
Catalog Number
ACM1530898
Category
Other Products
Molecular Weight
112.1298
Molecular Formula
C5H8N2O

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Specification

Synonyms
4-Morpholinecarbonitrile, N-Cyanomorpholine, Morpholine-4-carbonitrile, 4-Morpholinocarbonitrile, 218529_ALDRICH, MolPort-003-927-969, ALBB-010142, CID73738, NSC44243, EINECS 216-235-9, NSC 44243, STK506240, ZINC00407026, 1530-89-8, InChI=1/C5H8N2O/c6-5-7-1-3-8-4-2-7/h1-4H
IUPAC Name
morpholine-4-carbonitrile
SMILES
C1COCCN1C#N
InChI Key
BOQOXLAQTDFJKU-UHFFFAOYSA-N
Boiling Point
71-73ºC 0.6 mm Hg(lit.)
Flash Point
220 °F
Density
1.109 g/mL at 25ºC(lit.)
Appearance
CLEAR COLOURLESS LIQUID
EC Number
216-235-9
Exact Mass
112.06400
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
3
H-Bond Donor
0
Safety Description
26-37/39

Upstream Synthesis Route 1

  • 110-91-8
  • 506-68-3
  • 1530-89-8

Reference: [1]Siddiqui, Salimuzzaman; Haider, S. Imtiaz; Ahmad, S. Salman; Siddiqui, B. Shaheen
[Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1985, vol. 40, # 4, p. 546 - 549]

Downstream Synthesis Route 1

  • 1530-89-8
  • 38952-62-4

Reference: [1] Dalton Transactions, 2013, vol. 42, # 34, p. 12460 - 12467

Downstream Synthesis Route 2

  • 1530-89-8
  • 780722-26-1
  • 2827-42-1

Reference: [1]Diaz-Ortiz, Angel; Elguero, Jose; Foces-Foces, Concepcion; De La Hoz, Antonio; Moreno, Andres; Del Carmen Mateo, Maria; Sanchez-Migallon, Ana; Valiente, Gema
[New Journal of Chemistry, 2004, vol. 28, # 8, p. 952 - 958]
[2]Current Patent Assignee: Am. Cyanamid Co. - US2567847, 1946, A

Downstream Synthesis Route 3

  • 1530-89-8
  • 14294-10-1

Reference: [1]Culbertson; Domagala; Peterson; Bongers; Nichols
[Journal of Heterocyclic Chemistry, 1987, vol. 24, # 6, p. 1509 - 1520]
[2]Kjoer; Rubinstein
[Acta Chemica Scandinavica (1947), 1953, vol. 7, p. 528,533]
[3]Takahashi, Hitoe; Nishina, Atsuyoshi; Fukumoto, Ryo-Hei; Kimura, Hirokazu; Koketsu, Mamoru; Ishihara, Hideharu
[Life Sciences, 2005, vol. 76, # 19, p. 2185 - 2192]
[4]Current Patent Assignee: CYCLACEL PHARMACEUTICALS, INC. - WO2004/43953, 2004, A1
Location in patent: Page 66

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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