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Structure

N,N'-DI-TERT-BUTYLCARBODIIMIDE

CAS
691-24-7
Catalog Number
ACM691247
Category
Other Products
Molecular Weight
154.25
Molecular Formula
C9H18N2

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Specification

Synonyms
Di-tert-butylcarbodiimide, N,N-di-tert-Butylcarbodiimide, N,N-ditert-butylcarbodiimide, 235563_ALDRICH, 34640_FLUKA, EINECS 211-719-6, CID69650, ZINC13493742, 2-Propanamine, N,N-methanetetraylbis[2-methyl-, 691-24-7
IUPAC Name
N,N-ditert-butylmethanediimine
Canonical SMILES
CC(C)(C)N=C=NC(C)(C)C
InChI Key
IDVWLLCLTVBSCS-UHFFFAOYSA-N
Boiling Point
48-50ºC 12 mm Hg(lit.)
Melting Point
35ºC
Flash Point
95 °F
Density
0.800 g/mL at 20ºC(lit.)
EC Number
211-719-6
Exact Mass
154.14700
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
2
H-Bond Donor
0
Packing Group
III
Safety Description
26-36

Upstream Synthesis Route 1

  • 23044-57-7
  • 691-24-7
  • 100-97-0

Reference: [1] European Journal of Organic Chemistry, 2009, # 23, p. 3940 - 3952

Upstream Synthesis Route 2

  • 4041-95-6
  • 691-24-7

Reference: [1]Current Patent Assignee: ZIBO TIANTANGSHAN CHEMICAL - CN109369459, 2019, A
Location in patent: Paragraph 0026-0040

Upstream Synthesis Route 3

  • 5336-24-3
  • 691-24-7

Reference: [1]Schlama; Gouverneur; Mioskowski
[Tetrahedron Letters, 1996, vol. 37, # 39, p. 7047 - 7048]
[2]Jaszay, Zsuzsa M.; Petnehazy, Imre; Toeke, Laszlo; Szajani, Bela
[Synthesis, 1987, # 5, p. 520 - 523]

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