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Chemical Structure| 1078611-21-8 Chemical Structure| 1078611-21-8

Structure of 1078611-21-8

Chemical Structure| 1078611-21-8

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Product Details of [ 1078611-21-8 ]

CAS No. :1078611-21-8
Formula : C9H10Cl3NO2
M.W : 270.54
SMILES Code : O=C(OC)C(N)C1=CC=C(Cl)C(Cl)=C1.[H]Cl
MDL No. :MFCD04115512
InChI Key :SRIJGMLHUNVNAI-UHFFFAOYSA-N
Pubchem ID :24213861

Safety of [ 1078611-21-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 1078611-21-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 1078611-21-8 ]

[ 1078611-21-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1613219-39-8 ]
  • [ 1078611-21-8 ]
  • [ 1620738-97-7 ]
YieldReaction ConditionsOperation in experiment
82% With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In tetrahydrofuran; ethyl acetate; at 70.0℃; for 20.0h; To a suspension of 7-(4-phenyl-thiazol-2-yl)-naphthalene-2-carboxylic acid (100 mg, 0.30 mmol) and <strong>[1078611-21-8]methyl 2-amino-2-(3,4-dichlorophenyl)acetate hydrochloride</strong> (98 mg, 0.36 mmol) in THF (10 ml) at room temperature was added 1-propanephosphonic acid cyclic anhydride (50% weight in EtOAc, 0.29 ml, 0.48 mmol) followed by triethylamine (0.25 ml, 1.81 mmol). The reaction mixture was stirred at 70 C for 20 h then diluted with water and extracted with EtOAc. The organic layer was washed with satd. NaHC03 solution and brine then dried over MgS04 and concentrated. The residue was purified by silica gel chromatography (gradient: 5 - 50% EtOAc/hexanes) to obtain 136 mg (82%) of (3,4-dichloro-phenyl)-{ [7-(4-phenyl-thiazol-2-yl)- naphthalene-2-carbonyl] -amino} -acetic acid methyl ester. LC/MS: (M+H)+ = 548.
  • 2
  • [ 1078611-21-8 ]
  • 2-amino-2-(3,4-dichlorophenyl)acetamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
With ammonium hydroxide; In water; for 96.0h; Methyl 2-amino-2-(3,4-dichlorophenyl)acetate hydrochloride was stirred in 28% ammonium hydroxide (5ml_/g) solution for 96 hours resulting in the formation of 2-amino-2- (3,4-dichlorophenyl)acetamide as a white precipitate that was collected via filtration and used without further purification. To a solution of 2-amino-2-(3,4-dichlorophenyl)acetamide (1 equiv) in ethanol (0.1 M) was added tert-Butyl 4-oxo-1 -piperidinecarboxylate (1 equiv) and the reaction mixture was heated to reflux for 12 hours. The reaction mixture was cooled to room temperature and concentrated under reduced pressure. The resulting residue was dissolved in DCM (0.1 M) and N-bromosuccinimide (1 equiv) was added. The reaction mixture was stirred for 8 hours and saturated sodium bicarbonate was added. The resulting mixture was extracted with DCM. The organics were dried, concentrated and purified by FCC (0-100% EtOAc in hexanes) to provide tert-butyl 2-(3,4-dichlorophenyl)-3-oxo-1 ,4,8- triazaspiro[4.5]dec-1 -ene-8-carboxylate. 1 H NMR (400 MHz, DMSO-d6) d 10.37 (s, 1 H), 8.55 (d, J = 1.9 Hz, 1 H), 8.29 (dd, J = 8.4, 1.9 Hz, 1 H), 7.82 (d, J = 8.4 Hz, 1 H), 3.70 - 3.51 (m, 4H), 1.81 - 1.58 (m, 4H), 1.44 (s, 9H).
 

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