ChemicalBook--->CAS DataBase List--->3001-72-7

3001-72-7

3001-72-7 Structure

3001-72-7 Structure
IdentificationMore
[Name]

1,5-Diazabicyclo[4.3.0]non-5-ene
[CAS]

3001-72-7
[Synonyms]

1,5-DIAZABICYCLO[4.3.0]-5-NONENE
1,5-DIAZABICYCLO[4.3.0]NON-5-ENE
1,5-DIAZABICYCLO (4,3,0) NONENE-5
DBN
PYRROLIDINO[1,2:A]1,4,5,6-TETRAHYDRO-PYRIMIDINE
2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine
Pyrrolo[1,2-a]pyrimidine, 2,3,4,6,7,8-hexahydro-
1,5-diazobicyclo[4.3.0]non-5-ene
1,5-Diazabicyclonon-5-ene
1,5-Diazabicyclo[4.3.0]non-5-ene 97%
L-CYSTEINE HCL MONO/ANHY
1,5-Diazabicyclo4.3.0ünon-5-ene, 97%
1,5-Diazabicyclo[4.3.0]nonane-5-ene
Diazabicyclononene
[EINECS(EC#)]

221-087-3
[Molecular Formula]

C7H12N2
[MDL Number]

MFCD00005554
[Molecular Weight]

124.18
[MOL File]

3001-72-7.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to yellowish liquid
[Boiling point ]

95-98 °C7.5 mm Hg(lit.)
[density ]

1.005 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.519(lit.)
[Fp ]

202 °F
[storage temp. ]

Store below +30°C.
[form ]

Liquid
[pka]

13.42±0.20(Predicted)
[color ]

Clear colorless to yellow
[Water Solubility ]

soluble
[Sensitive ]

Air Sensitive
[BRN ]

2417
[InChIKey]

SGUVLZREKBPKCE-UHFFFAOYSA-N
[CAS DataBase Reference]

3001-72-7(CAS DataBase Reference)
[NIST Chemistry Reference]

1,5-diazabicyclo[4.3.0]non-5-ene(3001-72-7)
[Storage Precautions]

Moisture sensitive;Air sensitive
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3267 8/PG 2
[WGK Germany ]

3
[F ]

1-3-8-10
[Hazard Note ]

Corrosive/Air Sensitive
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29335995
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium azide-->Tosyl chloride-->Oxalyl chloride-->1,2-Dichloroethane-->Anisole-->2-Pyrrolidinone-->3-Chloro-1-propanol
[Preparation Products]

5-Dibenzosuberenone
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,5-Diazabicyclo[4.3.0]non-5-ene(3001-72-7).msds
Questions And AnswerBack Directory
[Description]

1,5-Diazabicyclo [4.3.0]non-5-ene is a amidine base used in organic synthesis. It is employed for dehydrohalogenation reactions as well as base-catalyzed rearrangements. It can also be used as the nucleophilic catalyst for the Friedel-Crafts acylation of pyrroles and indoles2. Further, it is used as a resin curing agent and polyurethane catalyst.
[Reference]

Taylor, James E., et al. "Friedel−Crafts Acylation of Pyrroles and Indoles using 1,5-Diazabicyclo[4.3.0]non-5-ene (DBN) as a Nucleophilic Catalyst." Cheminform 42.13(2015):5740.
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to yellowish liquid
[Uses]

1,5-Diazabicyclo[4.3.0]non-5-ene is employed for dehydrohalogenation reactions and base-catalyzed rearrangements in organic synthesis. It is an amidine base used in organic synthesis. Further, it is used as a resin curing agent and polyurethane catalyst.
[Definition]

ChEBI: 1,5-diazabicyclo[4.3.0]-non-5-ene is a pyrrolopyrimidine.
[Purification Methods]

Distil DBN from BaO. It forms a hydroiodide on addition of 47% HI; dry it and dissolve it in MeCN, evaporate and repeat; recrystallise from EtOH, dry at 25o/1mm for 5hours, then at 80o/0.03mm for 12hours and store and dispense it in a dry box, m 154-156o [Jaeger et al. J Am Chem Soc 101 717 1979]. The methiodide is recrystallised from CHCl3/Et2O, m 248-250o, and hydrogen fumarate has m 159-160o and is crystallised from iso-PrOH [Rokach et al. J Med Chem 22 237 1979, Oediger et al. Chem Ber 99 2012 1966, Reppe et al. Justus Liebigs Ann Chem 596 210 1955]. [Beilstein 23/5 V 239.]
Spectrum DetailBack Directory
[Spectrum Detail]

1,5-Diazabicyclo[4.3.0]non-5-ene(3001-72-7)MS
1,5-Diazabicyclo[4.3.0]non-5-ene(3001-72-7)1HNMR
1,5-Diazabicyclo[4.3.0]non-5-ene(3001-72-7)13CNMR
1,5-Diazabicyclo[4.3.0]non-5-ene(3001-72-7)IR1
1,5-Diazabicyclo[4.3.0]non-5-ene(3001-72-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,5-Diazabicyclo[4.3.0]non-5-ene, 98%(3001-72-7)
[Alfa Aesar]

1,5-Diazabicyclo[4.3.0]non-5-ene, 98%(3001-72-7)
[Sigma Aldrich]

3001-72-7(sigmaaldrich)
[TCI AMERICA]

1,5-Diazabicyclo[4.3.0]-5-nonene,>98.0%(GC)(3001-72-7)
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