Home Cart 0 Sign in  

[ CAS No. 1019607-55-6 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

type HazMat fee
Excepted Quantity Free
Inaccessible (Haz class 6.1), Domestic USD 41.00
Inaccessible (Haz class 6.1), International USD 64.00
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 83.00
Accessible (Haz class 3, 4, 5 or 8), International USD 133.00
Chemical Structure| 1019607-55-6
Chemical Structure| 1019607-55-6
Structure of 1019607-55-6 * Storage: {[proInfo.prStorage]}

Quality Control of [ 1019607-55-6 ]

Related Doc. of [ 1019607-55-6 ]

SDS
Alternatived Products of [ 1019607-55-6 ]
Alternatived Products of [ 1019607-55-6 ]

Product Details of [ 1019607-55-6 ]

CAS No. :1019607-55-6 MDL No. :MFCD11135501
Formula : C10H10N2 Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :158.20 g/mol Pubchem ID :-
Synonyms :

Safety of [ 1019607-55-6 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312-P304+P340+P311-P305+P351+P338-P332+P313-P337+P313-P362-P363-P403+P233-P405-P501 UN#:3439
Hazard Statements:H331-H302-H312-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1019607-55-6 ]

  • Downstream synthetic route of [ 1019607-55-6 ]

[ 1019607-55-6 ] Synthesis Path-Downstream   1~16

  • 1
  • [ 1019607-55-6 ]
  • [ 536-74-3 ]
  • [ 1642594-54-4 ]
YieldReaction ConditionsOperation in experiment
49% With tris(2,2'-bipyrazine)ruthenium(II) hexafluorophosphate dihydrate In nitromethane at 20℃; Sealed tube; Irradiation; General procedure 2: [3 + 2] annulation General procedure: An oven-dried test tube equipped with a stir bar was charged with [Ru(bpz)3](PF6)2·2H2O (2mol %), cyclopropylaniline derivative (0.2 mmol), alkyne derivative (1.0 mmol), and dry CH3NO2 (2 mL). The test tube was sealed with a Teflon screw cap and the reaction mixture was degassed by Freeze-Pump-Thaw cycles and irradiated at room temperature with one LED (18 watts) positioned 8 cm from the reaction vessel. After the reaction was complete, monitored byTLC, the mixture was diluted with diethyl ether and filtered through a short pad of silica gel. Thesolution was concentrated in vacuum and purified by silica gel flash chromatography to affordthe desired cycloadducts.
  • 2
  • [ 1019607-55-6 ]
  • [ 922-67-8 ]
  • [ 1642594-57-7 ]
YieldReaction ConditionsOperation in experiment
72% With tris(2,2'-bipyrazine)ruthenium(II) hexafluorophosphate dihydrate In nitromethane at 20℃; Sealed tube; Irradiation; General procedure 2: [3 + 2] annulation General procedure: An oven-dried test tube equipped with a stir bar was charged with [Ru(bpz)3](PF6)2·2H2O (2mol %), cyclopropylaniline derivative (0.2 mmol), alkyne derivative (1.0 mmol), and dry CH3NO2 (2 mL). The test tube was sealed with a Teflon screw cap and the reaction mixture was degassed by Freeze-Pump-Thaw cycles and irradiated at room temperature with one LED (18 watts) positioned 8 cm from the reaction vessel. After the reaction was complete, monitored byTLC, the mixture was diluted with diethyl ether and filtered through a short pad of silica gel. Thesolution was concentrated in vacuum and purified by silica gel flash chromatography to affordthe desired cycloadducts.
  • 3
  • [ 623-00-7 ]
  • [ 765-30-0 ]
  • [ 1019607-55-6 ]
YieldReaction ConditionsOperation in experiment
53% With tris-(dibenzylideneacetone)dipalladium(0); sodium tert-pentoxide; (R)-tol-BINAP In toluene at 80℃; for 18h; Sealed tube; Glovebox; General procedure 1: Preparation of N-cyclopropylanilines General procedure: To an oven-dried test tube equipped with a stir bar were added 0.01 mmol of Pd2(dba)3 and 0.03 mmol of ligand ((R)-Tol-BINAP or BrettPhos). Glove box was used to add 1.5 mmol ofNaOt-Pent and the tube was sealed with a Teflon screw cap. 1 mmol of aromatic halide,1.6 mmol of cyclopropylamine, and 2 mL of toluene were then added to the reaction mixture and heated at 80 °C for 18 h. After completion, the reaction mixture was cooled to room temperature, diluted with diethyl ether, filtered over a short pad of silica gel, and concentrated in vacuum. Purification by flash chromatography on silica gel afforded N-cyclopropylaniline.
  • 4
  • [ 1194-02-1 ]
  • [ 765-30-0 ]
  • [ 1019607-55-6 ]
YieldReaction ConditionsOperation in experiment
50% With potassium carbonate In dimethyl sulfoxide at 120℃; for 1.5h; Microwave irradiation; 118.1 A mixture of 4-fluorobenzonitrilre (1 .0 g, 8.264 mmol), cyclopropylamine (20 mL) andK2003 (3.42 g, 24.745 mmol) in DMSO (10 mL) was stirred at 120 °C for 90 mm underMW irradiation. The reaction mixture was partitioned between water (50 mL) and ethylacetate (100 mL). The combined organic layer was washed with brine (100 mL), driedover anhydrous Na2SO4 and concentrated to afford 650 mg (50%) of 4-(cyclopropylamino)benzonitrile 118-1 as a white solid. 1H NMR (400 MHz,DMSO-d6): c57.47 (d, J = 7.6 Hz, 2H), 7.05 (5, 1 H), 6.75 (d, J = 7.2 Hz, 2H), 2.28-2.40 (m, 1 H), 0.72-0.76 (m, 2H), 0.38-0.44 (m, 2H).
  • 5
  • [ 1019607-55-6 ]
  • [ 1610612-27-5 ]
  • [ 1610612-58-2 ]
YieldReaction ConditionsOperation in experiment
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 48h; 118.2 General procedure: To a solution of carboxylic acid (1 .0 equivalent) indichloromethane (0.2 M) was added oxalyl chloride (2.8 equivalent) followed bycatalytic amount of N,N-dimethylformamide at room temperature and stirred for0.5-2 h. The resultant volatiles were distilled-off under reduced pressure toafford crude acid chloride. The acid chloride in dichloromethane (0.2 M) wasadded to corresponding amine (1 .0 equivalent) and DIPEA (2.8 equivalent) indichloromethane (1 M) at 0 °C. The resulting reaction mixture was stirred atroom temperature for 1 h-i 6 h. The reaction mixture was diluted withdichloromethane (50 mL). The organic layer was washed with 1 N HCI, sat.NaHCO3, water, brine, dried over anhydrous Na2SO4 and evaporated under reducedpressure. The crude product was purified by column chromatography over silicagel (100-200 mesh) using a solvent gradient of 25%-i 00% of ethyl acetate inpet-ether.Compound 118-2 was prepared using the general procedure described in AmideCoupling-Method 1 with the appropriate starting materials. Yield 13%. Yellow solid. ESILC/MS: m/z380.99 (M+H) & 382.97 [(M+2)+H]; R = 2.77 mm [Waters Acquity UPLC withQuattro micro TQD; Waters Acquity BEH Cl 8, 1.7 pm, 2.1 X 50 mm column; gradient of90:10 H20 (0.025% TEA): CH3CN (0.025% TEA) hold for 0.5 mm to 10:90 H20 (0.025%TEA):CH3CN (0.025% TEA) in 2.5 mm and hold for 2 mm with flow rate of 0.4 mL/min].
  • 6
  • [ 1019607-55-6 ]
  • [ 1610611-56-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: N-ethyl-N,N-diisopropylamine / dichloromethane / 48 h / 20 °C 2: tetrakis(triphenylphosphine) palladium(0) / 1,2-dimethoxyethane / 16 h / 90 °C / Inert atmosphere
  • 7
  • [ 1019607-55-6 ]
  • [ 1610611-57-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: N-ethyl-N,N-diisopropylamine / dichloromethane / 48 h / 20 °C 2: tetrakis(triphenylphosphine) palladium(0) / 1,2-dimethoxyethane / 16 h / 80 - 90 °C / Inert atmosphere
  • 8
  • [ 623-03-0 ]
  • [ 765-30-0 ]
  • [ 1019607-55-6 ]
YieldReaction ConditionsOperation in experiment
89% With C35H49ClNiO3P2; sodium t-butanolate In toluene at 25℃; for 16h; Inert atmosphere; Glovebox; Sealed tube;
With C34H47ClNiO3P2; isopropyl alcohol; sodium t-butanolate In toluene at 110℃; for 18h; Inert atmosphere;
  • 9
  • [ 1019607-55-6 ]
  • benzyl 7-cyano-5-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: potassium carbonate / toluene / 6 h / 80 °C / Inert atmosphere 2: bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate; tris(para-trifluoromethyl)phenyl phosphine; ortho-nitrobenzoic acid; sodium sulfate / benzonitrile / 72 h / 130 °C / 760.05 Torr / Inert atmosphere
  • 10
  • [ 1019607-55-6 ]
  • [ 501-53-1 ]
  • benzyl (4-cyanophenyl)(cyclopropyl)carbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
78% With potassium carbonate In toluene at 80℃; for 6h; Inert atmosphere;
  • 11
  • [ 1019607-55-6 ]
  • C12H12IN3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: sodium hydride / N,N-dimethyl-formamide / 0.17 h / 20 °C / Inert atmosphere 1.2: 20 °C / Inert atmosphere 2.1: N-iodo-succinimide; water / diethyl ether / 1 h / 20 °C / Inert atmosphere
  • 12
  • [ 1019607-55-6 ]
  • C14H15ClIN3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: sodium hydride / N,N-dimethyl-formamide / 0.17 h / 20 °C / Inert atmosphere 1.2: 20 °C / Inert atmosphere 2.1: N-iodo-succinimide; water / diethyl ether / 1 h / 20 °C / Inert atmosphere
  • 13
  • [ 1019607-55-6 ]
  • C14H14IN3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: sodium hydride / N,N-dimethyl-formamide / 0.17 h / 20 °C / Inert atmosphere 1.2: 20 °C / Inert atmosphere 2.1: N-iodo-succinimide; water / diethyl ether / 1 h / 20 °C / Inert atmosphere
  • 14
  • [ 1019607-55-6 ]
  • C16H20IN3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: sodium hydride / N,N-dimethyl-formamide / 0.17 h / 20 °C / Inert atmosphere 1.2: 20 °C / Inert atmosphere 2.1: N-iodo-succinimide; water / diethyl ether / 1 h / 20 °C / Inert atmosphere
  • 15
  • [ 1019607-55-6 ]
  • C15H16IN3O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: sodium hydride / N,N-dimethyl-formamide / 0.17 h / 20 °C / Inert atmosphere 1.2: 20 °C / Inert atmosphere 2.1: N-iodo-succinimide / dichloromethane / 1 h / 20 °C / Inert atmosphere
  • 16
  • [ 1019607-55-6 ]
  • C17H16IN3O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: sodium hydride / N,N-dimethyl-formamide / 0.17 h / 20 °C / Inert atmosphere 1.2: 20 °C / Inert atmosphere 2.1: N-iodo-succinimide / dichloromethane / 1 h / 20 °C / Inert atmosphere
Historical Records

Related Functional Groups of
[ 1019607-55-6 ]

Nitriles

Chemical Structure| 4714-64-1

[ 4714-64-1 ]

4-(Propylamino)benzonitrile

Similarity: 0.91

Chemical Structure| 204078-26-2

[ 204078-26-2 ]

4-(Isopropylamino)benzonitrile

Similarity: 0.91

Chemical Structure| 918152-17-7

[ 918152-17-7 ]

3-Amino-4-(cyclopropylamino)benzonitrile

Similarity: 0.89

Chemical Structure| 4714-64-1

[ 4714-64-1 ]

4-(Propylamino)benzonitrile

Similarity: 0.91

Chemical Structure| 204078-26-2

[ 204078-26-2 ]

4-(Isopropylamino)benzonitrile

Similarity: 0.91

Amines

Chemical Structure| 4714-64-1

[ 4714-64-1 ]

4-(Propylamino)benzonitrile

Similarity: 0.91

Chemical Structure| 204078-26-2

[ 204078-26-2 ]

4-(Isopropylamino)benzonitrile

Similarity: 0.91

Chemical Structure| 918152-17-7

[ 918152-17-7 ]

3-Amino-4-(cyclopropylamino)benzonitrile

Similarity: 0.89

Chemical Structure| 4714-64-1

[ 4714-64-1 ]

4-(Propylamino)benzonitrile

Similarity: 0.91

Chemical Structure| 204078-26-2

[ 204078-26-2 ]

4-(Isopropylamino)benzonitrile

Similarity: 0.91

Aryls

Chemical Structure| 4714-64-1

[ 4714-64-1 ]

4-(Propylamino)benzonitrile

Similarity: 0.91

Chemical Structure| 204078-26-2

[ 204078-26-2 ]

4-(Isopropylamino)benzonitrile

Similarity: 0.91

Chemical Structure| 918152-17-7

[ 918152-17-7 ]

3-Amino-4-(cyclopropylamino)benzonitrile

Similarity: 0.89

Chemical Structure| 4714-64-1

[ 4714-64-1 ]

4-(Propylamino)benzonitrile

Similarity: 0.91

Chemical Structure| 204078-26-2

[ 204078-26-2 ]

4-(Isopropylamino)benzonitrile

Similarity: 0.91