ChemicalBook--->CAS DataBase List--->4152-09-4

4152-09-4

4152-09-4 Structure

4152-09-4 Structure
IdentificationMore
[Name]

N-Benzylethylenediamine
[CAS]

4152-09-4
[Synonyms]

N1-BENZYLETHANE-1,2-DIAMINE
N-BENZYLETHYLENEDIAMINE
2-Ethanediamine,N-(phenylmethyl)-1
Ethylenediamine, N-benzyl-
n-(phenylmethyl)-2-ethanediamine
N-BENZYL-ETHANE-1,2-DIAMINE
N-BenzylethylenediamineSEE16262,97%
N-Benzylethylenediamine,98%
N-(2-Aminoethyl)-N-Benzylamine
N-(2-AMINOETHYL)BENZYLAMINE
N-Benzyl-1,2-ethanediamine
N-Benzylethylenediamine SEE 16262, 97%
[EINECS(EC#)]

223-984-5
[Molecular Formula]

C9H14N2
[MDL Number]

MFCD00041896
[Molecular Weight]

150.22
[MOL File]

4152-09-4.mol
Chemical PropertiesBack Directory
[Boiling point ]

162 °C/20 mmHg (lit.)
[density ]

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

1.5400
[Fp ]

95°C
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

clear liquid
[pka]

9.27±0.10(Predicted)
[color ]

Colorless to Light yellow
[Water Solubility ]

negligible
[BRN ]

907505
[InChI]

InChI=1S/C9H14N2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8,10H2
[InChIKey]

ACYBVNYNIZTUIL-UHFFFAOYSA-N
[SMILES]

C(NCC1=CC=CC=C1)CN
[CAS DataBase Reference]

4152-09-4(CAS DataBase Reference)
[NIST Chemistry Reference]

1,2-Ethanediamine, n-(phenylmethyl)-(4152-09-4)
[EPA Substance Registry System]

4152-09-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
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 ]

2735
[WGK Germany ]

3
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29335990
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Skin Corr. 1B
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

N-Benzylethylenediamine may be used for the synthesis of N-benzyl-N,N′,N′-tris(tert-butyloxycarbonylmethyl)ethylenediamine and 3-benzyl-2-(phenyl-2-sulfonate)-2-imidazoline tetraheptylammonium salt.
[General Description]

N-Benzylethylenediamine participates in the one-pot synthesis of N,N,N′-trisubstituted guanidines. It undergoes condensation with dibenzoylmethane (1,3-diphenyl-1,3-propanedione) in stoichiometric ratio 1:1 to afford the corresponding Schiff monobase.
[Flammability and Explosibility]

Notclassified
[Synthesis]

Benzaldehyde

100-52-7

Ethylenediamine

107-15-3

N-Benzylethylenediamine

4152-09-4

Ethylenediamine (3.4 mL, 51 mmol) with anhydrous methanol (38 mL) was added to a 100 mL aubergine vial. Benzaldehyde (1000 μL, 9.8 mmol) was dissolved in anhydrous methanol (5 mL) and slowly added dropwise into the above aiguille. After the dropwise addition, the reaction mixture was continued to be stirred for 30 min. Subsequently, sodium borohydride (0.371 g, 11 mmol) was added in batches under ice bath conditions. The reaction mixture was cooled and stirred overnight. Upon completion of the reaction, the solvent was removed by evaporation and dichloromethane (50 mL) was added to dissolve the residue. The organic phase was washed twice with saturated saline (5 mL) and the organic layer was dried over anhydrous sodium sulfate and the solvent was evaporated to give N-benzylethylenediamine (colorless liquid, 938 mg, 64% yield).

[References]

[1] Tetrahedron Letters, 2006, vol. 47, # 35, p. 6277 - 6280
[2] Russian Chemical Bulletin, 2010, vol. 59, # 6, p. 1254 - 1266
[3] Patent: CN107721925, 2018, A. Location in patent: Paragraph 0104; 0105
[4] European Journal of Medicinal Chemistry, 2012, vol. 57, p. 417 - 428
[5] Journal of Medicinal Chemistry, 1990, vol. 33, # 2, p. 781 - 789
Spectrum DetailBack Directory
[Spectrum Detail]

N-Benzylethylenediamine(4152-09-4)MS
N-Benzylethylenediamine(4152-09-4)1HNMR
N-Benzylethylenediamine(4152-09-4)13CNMR
N-Benzylethylenediamine(4152-09-4)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

N-Benzylethylenediamine, 99%(4152-09-4)
[Alfa Aesar]

N-Benzylethylenediamine, 98%(4152-09-4)
[Sigma Aldrich]

4152-09-4(sigmaaldrich)
[TCI AMERICA]

N-Benzylethylenediamine,>97.0%(GC)(4152-09-4)
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