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691-24-7

691-24-7 Structure

691-24-7 Structure
IdentificationBack Directory
[Name]

N,N'-DI-TERT-BUTYLCARBODIIMIDE
[CAS]

691-24-7
[Synonyms]

di-tert-butylcarbodiimide
Bis(tert-butyl)carbodiimide
N'-DI-TERT-BUTYLCARBODIIMIDE
1,3-DI-TERT-BUTYLCARBODIIMIDE
N,N'-DI-TERT-BUTYLCARBODIIMIDE
N,N'-Di-tert-butylmethanediimine
N,N'-Di-tert-butylcarbodiimide 99%
ditert-butyl(iminomethylidene)ammonium
N,N'-Bis(1,1-dimethylethyl)carbodiimide
tert-butyl(tert-butyliminomethylene)amine
tert-Butyl[(tert-Butylimino)methylidene]amine
2-Propanamine, N,N'-methanetetraylbis[2-methyl-
N,N'-Methanediylidenebis(2-Methylpropan-2-aMine)
[EINECS(EC#)]

211-719-6
[Molecular Formula]

C9H18N2
[MDL Number]

MFCD00010231
[MOL File]

691-24-7.mol
[Molecular Weight]

154.25
Chemical PropertiesBack Directory
[Boiling point ]

48-50 °C12 mm Hg(lit.)
[density ]

0.800 g/mL at 20 °C(lit.)
[refractive index ]

n20/D 1.429
[Fp ]

95 °F
[storage temp. ]

Store at room temperature
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[BRN ]

1758049
[Major Application]

peptide synthesis
[InChI]

InChI=1S/C9H18N2/c1-8(2,3)10-7-11-9(4,5)6/h1-6H3
[InChIKey]

IDVWLLCLTVBSCS-UHFFFAOYSA-N
[SMILES]

N(=C=NC(C)(C)C)C(C)(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H226-H315-H319-H335
[Precautionary statements ]

P210-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

10-36/37/38
[Safety Statements ]

26-36
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[F ]

10-21
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

2925290090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

N,N′-Di-tert-butylcarbodiimide can be used:
  • As a reagent for the guanylation of aryl amines catalyzed by lanthanum amides.
  • To prepare dichloroimidazolidine-4,5-dione by reacting with oxalyl chloride, which is a key intermediate for the synthesis of N,N′-diamidocarbenes.
  • To prepare the iridium complex of benzamidine named Ir(FMeppy)2(N,N′-di-tert-butyl-4-methyl-benzamidine).

[Synthesis Reference(s)]

Tetrahedron Letters, 37, p. 7047, 1996 DOI: 10.1016/0040-4039(96)01593-6
[reaction suitability]

reaction type: Coupling Reactions
Spectrum DetailBack Directory
[Spectrum Detail]

N,N'-DI-TERT-BUTYLCARBODIIMIDE(691-24-7)MS
N,N'-DI-TERT-BUTYLCARBODIIMIDE(691-24-7)1HNMR
N,N'-DI-TERT-BUTYLCARBODIIMIDE(691-24-7)13CNMR
N,N'-DI-TERT-BUTYLCARBODIIMIDE(691-24-7)IR1
N,N'-DI-TERT-BUTYLCARBODIIMIDE(691-24-7)Raman
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