Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
N-(Diphenylmethylene)aminoacetonitrile |
EINECS | 628-942-3 |
CAS No. | 70591-20-7 | Density | 1.008 g/cm3 |
PSA | 36.15000 | LogP | 3.04758 |
Solubility | N/A | Melting Point |
83-86 °C |
Formula | C15H12N2 | Boiling Point | 343.621 °C at 760 mmHg |
Molecular Weight | 220.274 | Flash Point | 161.617 °C |
Transport Information | N/A | Appearance | white to slightly grey crystals |
Safety | 24/25-36-26 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Acetonitrile,[(diphenylmethylene)amino]- (9CI);(Benzhydrylideneamino)acetonitrile;Diphenylmethyleniminoacetonitrile;[(Diphenylmethylene)amino]acetonitrile;[(Diphenylmethylene)amino]methyl cyanide; |
Article Data | 21 |
Benzophenone imine
2-aminoacetonitrile hydrochloride
N-(diphenylmethylene)aminoacetonitrile
Conditions | Yield |
---|---|
In dichloromethane for 24h; Ambient temperature; | 93% |
With acetic acid In acetonitrile for 16h; Heating; | |
In dichloromethane at 20℃; for 120h; |
benzophenone
2-aminoacetonitrile hydrochloride
N-(diphenylmethylene)aminoacetonitrile
Conditions | Yield |
---|---|
With titanium tetrachloride; triethylamine In N,N-dimethyl-formamide; pentane at 35 - 40℃; for 1h; | 83% |
With titanium tetrachloride; triethylamine In N,N-dimethyl-formamide | |
In dichloromethane at 20℃; Schlenk technique; Inert atmosphere; |
diphenylmethanone O-benzoyl oxime
acetonitrile
N-(diphenylmethylene)aminoacetonitrile
Conditions | Yield |
---|---|
With [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate at 20 - 22℃; for 2h; Inert atmosphere; Irradiation; Sealed tube; | 73% |
sodium cyanide
<(Diphenylmethylen)aminomethyl>trimethylammoniumiodid
N-(diphenylmethylene)aminoacetonitrile
Conditions | Yield |
---|---|
In water for 2h; Heating; | 42% |
N-(diphenylmethylene)aminoacetonitrile
A
N-(diphenylmethylene)aminoacetonitrile
Conditions | Yield |
---|---|
With sodium hypochlorite In 1,4-dioxane; water at 20℃; for 1h; Chlorination; dehydrochlorination; Title compound not separated from byproducts; | |
With sodium hypochlorite In water at 10℃; for 2.33333h; Dehydrogenation; | A 60 % Spectr. B 25 % Spectr. |
N-Diphenylmethylen-N',N'-(dimethyl)methylendiamin
N-(diphenylmethylene)aminoacetonitrile
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 90 percent / ethanol / 2 h 2: 42 percent / H2O / 2 h / Heating View Scheme |
Benzophenone imine
cyanomethylamine sulfate
N-(diphenylmethylene)aminoacetonitrile
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dichloromethane for 48h; |
Benzophenone oxime
N-(diphenylmethylene)aminoacetonitrile
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: pyridine / dichloromethane / 0 - 20 °C 2: [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate / 2 h / 20 - 22 °C / Inert atmosphere; Irradiation; Sealed tube View Scheme |
N-(diphenylmethylene)aminoacetonitrile
ethyl 4-cyano-4-[(diphenylmethylene)amino]butanoate
Conditions | Yield |
---|---|
With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In dichloromethane | 99% |
Conditions | Yield |
---|---|
In water | 99% |
The N-(Diphenylmethylene)aminoacetonitrile, with the CAS registry number 70591-20-7, is also known as (Benzhydrylideneamino)acetonitrile. It belongs to the product categories of C10 to C27; Cyanides/Nitriles; Nitrogen Compounds. This chemical's molecular formula is C15H12N2 and molecular weight is 220.27. What's more, its systematic name is [(Diphenylmethylene)amino]acetonitrile. This chemical should be sealed and stored in a cool and dry place.
Physical properties of N-(Diphenylmethylene)aminoacetonitrile are: (1)ACD/LogP: 2.024; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.32; (6)ACD/BCF (pH 7.4): 20.32; (7)ACD/KOC (pH 5.5): 300.49; (8)ACD/KOC (pH 7.4): 300.50; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 36.15 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 71.545 cm3; (15)Molar Volume: 218.549 cm3; (16)Polarizability: 28.363×10-24cm3; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.008 g/cm3; (19)Flash Point: 161.617 °C; (20)Enthalpy of Vaporization: 58.75 kJ/mol; (21)Boiling Point: 343.621 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Preparation of N-(Diphenylmethylene)aminoacetonitrile: this chemical can be prepared by benzhydrylideneamine and glycine nitrile; hydrochloride at the ambient temperature. This reaction will need solvent CH2Cl2 with the reaction time of 24 hours. The yield is about 93%.
Uses of N-(Diphenylmethylene)aminoacetonitrile: it can be used to produce 1-(benzhydrylidene-amino)-cyclopentanecarbonitrile at the ambient temperature. It will need reagent 50percent aq. NaOH and solvent toluene with the reaction time of 24 hours. This reaction will also need catalyst benzyltriethylammonium chloride. The yield is about 73%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and you must avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CC/N=C(\c1ccccc1)c2ccccc2
(2)Std. InChI: InChI=1S/C15H12N2/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,12H2
(3)Std. InChIKey: VRLJFRODHVSTIK-UHFFFAOYSA-N