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Chemistry
Organic Building Blocks
Aryls
(Isocyanomethylene)dibenzene
Chemistry
Organic Building Blocks
Aryls
Isocyanides Benzene Compounds

[ CAS No. 3128-85-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
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Chemical Structure| 3128-85-6
Chemical Structure| 3128-85-6
Structure of 3128-85-6 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 3128-85-6 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification
Alternatived Products of [ 3128-85-6 ]

Product Details of [ 3128-85-6 ]

CAS No. :3128-85-6 MDL No. :MFCD02664566
Formula : C14H11N Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 193.24 Pubchem ID :-
Synonyms :

Safety of [ 3128-85-6 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P337+P313-P361-P403+P233-P405-P501 UN#:2811
Hazard Statements:H301-H311-H315-H319-H331-H335 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 3128-85-6 ]

* 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 [ 3128-85-6 ]

[ 3128-85-6 ] Synthesis Path-Downstream   1~23

  • 1
  • [ 4397-53-9 ]
  • [ 632-11-1 ]
  • [ 3128-85-6 ]
  • (3R)-α-<(p-benzyloxy)phenyl>-N-(diphenylmethyl)-3-hydroxy-2-oxo-1-azedineacetamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
MeOH/H2O, reflux, 3 d; Yield given. Multistep reaction;
Reference： [1]Isenring; Hofheinz [Tetrahedron, 1983, vol. 39, # 15, p. 2591 - 2597]
  • 2
  • [ 4397-53-9 ]
  • [ 565-71-9 ]
  • [ 3128-85-6 ]
  • [ 88147-46-0 ]
Reference： [1]Tetrahedron,1983,vol. 39,p. 2591 - 2597
  • 3
  • [ 632-11-1 ]
  • [ 3128-85-6 ]
  • [ 100-52-7 ]
  • N-(Diphenelmethyl)-3-hydroxy-2-oxo-α-phenyl-1-azetidineacetamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
44% In methanol; water for 48h; Heating;
Reference： [1]Isenring, Hans Peter; Hofheinz, Werner [Synthesis, 1981, # 5, p. 385 - 387]
  • 4
  • [ 50-00-0 ]
  • [ 7362-93-8 ]
  • [ 3128-85-6 ]
  • [ 168134-84-7 ]
Reference： [1]Tetrahedron,1995,vol. 51,p. 9523 - 9530
  • 5
  • [ 20615-64-9 ]
  • [ 7362-93-8 ]
  • [ 3128-85-6 ]
  • 4-benzyloxycarbonyl-1-<(N-diphenylmethylcarbamoyl)(9-fluorenyl)methyl>azetidin-2-one [ No CAS ]
Reference： [1]Tetrahedron,1995,vol. 51,p. 9523 - 9530
  • 6
  • [ 7362-93-8 ]
  • [ 3128-85-6 ]
  • dehydrocholic aldehyde [ No CAS ]
  • 4-benzyloxycarbonylmethyl-1-<(N-diphenylmethylcarbamoyl)(dehydrocholyic)methyl>azetidin-2-one [ No CAS ]
Reference： [1]Tetrahedron,1995,vol. 51,p. 9519 - 9522
  • 7
  • [ 107-20-0 ]
  • [ 3128-85-6 ]
  • [ 60209-59-8 ]
  • [ 3312-60-5 ]
  • tert-butyl 1-(1-(7-(benzhydrylcarbamoyl)-4-cyclohexyl-1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl amino)-1-oxopropan-2-ylcarbamate [ No CAS ]
Reference： [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 890 - 900
  • 8
  • [ 3128-85-6 ]
  • [ 60209-59-8 ]
  • [ 3312-60-5 ]
  • 1-((S)-2-((S)-2-aminopropanamido)-3-methylbutanoyl)-N-benzhydryl-4-cyclohexyl-1,4-diazepane-2-carboxamide 2,2,2-trifluoroacetate [ No CAS ]
Reference： [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 890 - 900
  • 9
  • [ 50-00-0 ]
  • [ 3128-85-6 ]
  • [ 2482-00-0 ]
  • C21H29N5O [ No CAS ]
Reference： [1]Lab on a chip,2012,vol. 12,p. 1320 - 1326
  • 10
  • [ 75428-45-4 ]
  • [ 3128-85-6 ]
  • 3-aminobenzamidine dihydrochloride [ No CAS ]
  • C26H23N5O3S [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine at 20℃; for 24h;
Reference： [1]Location in patent: scheme or table Theberge, Ashleigh B.; Mayot, Estelle; El Harrak, Abdeslam; Kleinschmidt, Felix; Huck, Wilhelm T. S.; Griffiths, Andrew D. [Lab on a chip, 2012, vol. 12, # 7, p. 1320 - 1326]
  • 11
  • [ 75428-45-4 ]
  • [ 3128-85-6 ]
  • [ 2482-00-0 ]
  • C24H28N6O3S [ No CAS ]
Reference： [1]Lab on a chip,2012,vol. 12,p. 1320 - 1326
  • 12
  • [ 75428-45-4 ]
  • [ 3128-85-6 ]
  • arginine methyl ester dihydrochloride [ No CAS ]
  • C26H30N6O5S [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine at 20℃; for 24h;
Reference： [1]Location in patent: scheme or table Theberge, Ashleigh B.; Mayot, Estelle; El Harrak, Abdeslam; Kleinschmidt, Felix; Huck, Wilhelm T. S.; Griffiths, Andrew D. [Lab on a chip, 2012, vol. 12, # 7, p. 1320 - 1326]
  • 13
  • [ 408526-38-5 ]
  • [ 3128-85-6 ]
  • [ 2482-00-0 ]
  • C24H35N5O4 [ No CAS ]
Reference： [1]Lab on a chip,2012,vol. 12,p. 1320 - 1326
  • 14
  • [ 3128-85-6 ]
  • [ 555-16-8 ]
  • [ 2482-00-0 ]
  • C26H30N6O3 [ No CAS ]
Reference： [1]Lab on a chip,2012,vol. 12,p. 1320 - 1326
  • 15
  • [ 3128-85-6 ]
  • [ 2482-00-0 ]
  • [ 590-86-3 ]
  • C24H35N5O [ No CAS ]
Reference： [1]Lab on a chip,2012,vol. 12,p. 1320 - 1326
  • 16
  • [ 3128-85-6 ]
  • [ 2482-00-0 ]
  • [ 5896-17-3 ]
  • C33H37N5O2 [ No CAS ]
Reference： [1]Lab on a chip,2012,vol. 12,p. 1320 - 1326
  • 17
  • [ 3128-85-6 ]
  • [ 52344-93-1 ]
  • [ 302-72-7 ]
  • [ 2039-67-0 ]
  • C37H41N3O7 [ No CAS ]
  • N-benzhydryl-5,7-dimethoxy-2-(1-((3-methoxyphenethyl)amino)-1-oxopropan-2-yl)-3-oxoisoindoline-1-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
In 2,2,2-trifluoroethanol at 80℃; for 1h; Microwave irradiation;
Reference： [1]Khoury, Kareem; Sinha, Mantosh K.; Nagashima, Tadamichi; Doemling, Alexander; Herdtweck, Eberhardt [Angewandte Chemie - International Edition, 2012, vol. 51, # 41, p. 10280 - 10283,4][Angewandte Chemie, 2012, vol. 124, # 41, p. 10426 - 10429] Khoury, Kareem; Sinha, Mantosh K.; Nagashima, Tadamichi; Herdtweck, Eberhardt; Dömling, Alexander [Angewandte Chemie - International Edition, 2012, vol. 51, # 41, p. 10280 - 10283][Angewandte Chemie, 2012, vol. 124, # 41, p. 10426 - 10429]
  • 18
  • [ 3128-85-6 ]
  • [ 52344-93-1 ]
  • [ 302-72-7 ]
  • [ 2039-67-0 ]
  • N-benzhydryl-5,7-dimethoxy-2-(1-((3-methoxyphenethyl)amino)-1-oxopropan-2-yl)-3-oxoisoindoline-1-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
38% Stage #1: diphenylmethyl isocyanide; methyl 2-formyl-3,5-dimethoxybenzoate; rac-Ala-OH; 2-(3-methoxyphenyl)-1-ethanamine In 2,2,2-trifluoroethanol at 80℃; for 1h; Microwave irradiation; Stage #2: In ethanol at 60℃; for 24h;
Reference： [1]Khoury, Kareem; Sinha, Mantosh K.; Nagashima, Tadamichi; Doemling, Alexander; Herdtweck, Eberhardt [Angewandte Chemie - International Edition, 2012, vol. 51, # 41, p. 10280 - 10283,4][Angewandte Chemie, 2012, vol. 124, # 41, p. 10426 - 10429] Khoury, Kareem; Sinha, Mantosh K.; Nagashima, Tadamichi; Herdtweck, Eberhardt; Dömling, Alexander [Angewandte Chemie - International Edition, 2012, vol. 51, # 41, p. 10280 - 10283][Angewandte Chemie, 2012, vol. 124, # 41, p. 10426 - 10429]
  • 19
  • [ 5267-34-5 ]
  • [ 3128-85-6 ]
Reference： [1]Chemical Communications,2014,vol. 50,p. 13585 - 13588
  • 20
  • [ 40320-60-3 ]
  • [ 3128-85-6 ]
  • [ 84499-73-0 ]
  • [ 79-11-8 ]
  • (S)-N,1-dibenzhydryl-3-(2-chloro-N-(1-(4-(trifluoromethyl)phenyl)ethyl)acetamido)azetidine-3-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
36% In methanol; at 20℃; for 5h; This step followed the published method in Synlett 2007, No. 2, pp. 0227-0230. Briefly, to a solution of l-benzhydrylazetidin-3-one (1.84 g, 7.76 mmol) and (S)-l-(4- (trifluoromethyl)phenyl)ethan- 1 -amine (1.47 g, 7.76 mmol, 1.0 equiv.) in MeOH (10 mL) were added diphenylmethyl isocyanide (1.50 g, 7.76 mmol, 1.0 equiv.) and 2-chloroacetic acid (733 mg, 7.76 mmol, 1.0 equiv.) sequentially. The resulting mixture was stirred at r.t. for 5 h, diluted with EA (150 mL), washed with saturated aqueous NaHC03 (100 mL), saturated aqueous NH4Cl (100 mL) and brine, dried over sodium sulfate, concentrated under reduced pressure, and purified by silica gel chromatography using EA/Hex (1/4) to provide 2.0 g (36%) of (S)-N,l-dibenzhydryl-3-(2-chloro-N-(l-(4-(trifluoromethyl)phenyl) ethyl)acetamido)azetidine-3-carboxamide. LRMS (APCI) m/z 696.3 (M+H).
Reference： [1]Patent: WO2020/47447,2020,A1 .Location in patent: Paragraph 0495
  • 21
  • [ 40320-60-3 ]
  • [ 3128-85-6 ]
  • [ 84499-73-0 ]
  • (S)-2,8-dibenzhydryl-5-(1-(4-(trifluoromethyl)phenyl)ethyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione [ No CAS ]
Reference： [1]Patent: WO2020/47447,2020,A1
  • 22
  • [ 929913-18-8 ]
  • [ 3300-51-4 ]
  • [ 3128-85-6 ]
  • [ 79-11-8 ]
  • C34H40ClF3N2O3Si [ No CAS ]
  • C34H40ClF3N2O3Si [ No CAS ]
YieldReaction ConditionsOperation in experiment
To a mixture of 3-((tert-butyldimethylsilyl)oxy)cyclobutan-l-one (1.0 g, 5.0 mmol) and (4-(trifluoromethyl)phenyl)methanamine (874 mg, 5.0 mmol) in a RB flask was added MeOH (10 mL). The mixture was stirred at r.t. for 5 min. To this mixture were added (isocyanomethylene)dibenzene (965 mg, 5.0 mmol) and 2-chloroacetic acid (472 mg, 5.0 mmol) sequentially. The resulting mixture was stirred at r.t. for 5 h, diluted with EtOAc (150 mL), washed with saturated aqueous NaHC03 (50 mL), saturated aqueous NH4Cl (50 mL), and brine, dried over sodium sulfate, concentration under reduced pressure, and purified by silica chromatography using 20% EA/Hex to provide 1.2 g (1.8 mmol, 36% yield) of the first eluting Diastereomer 46-1A and 698 mg (1.08 mmol, 21% yield) of the second eluting Diastereomer 46- 1B. Characterization of Diastereomer 46-1 A: LRMS (APCI) m/z 645.3 (M+H). 1 H NMR (400 MHz, Methanol-i/4) d 7.57 (d, J = 8.0 Hz, 2H), 7.46 (d, J = 8.1 Hz, 2H), 7.41 - 7.10 (m, 10H), 6.13 (s, 1H), 4.82 (s, 2H), 4.24 (s, 2H), 4.18 (t, / = 7.0 Hz, 1H), 3.07 (ddd, / = 9.8, 6.8, 3.0 Hz, 2H), 2.26 (t, J = 9.9 Hz, 2H), 0.84 (s, 9H), 0.00 (s, 6H). acterization of Diastereomer 46-1B: LRMS (APCI) m/z 645.3 (M+H). 1 H NMR (400 MHz, Methanol-i/4) d 7.66 (d, / = 8.1 Hz, 2H), 7.51 (d, / = 8.1 Hz, 2H), 7.37 - 7.25 (m, 10H), 6.18 (s, 1H), 4.75 (s, 2H), 4.28 - 4.22 (m, 1H), 4.18 (s, 2H), 2.85 - 2.74 (m, 2H), 2.66 - 2.53 (m, 2H), 0.74 (s, 9H), -0.12 (s, 6H).
Reference： [1]Patent: WO2020/47447,2020,A1 .Location in patent: Paragraph 0487-0489
  • 23
  • [ 929913-18-8 ]
  • [ 3300-51-4 ]
  • [ 3128-85-6 ]
  • C34H39F3N2O3Si [ No CAS ]
Reference： [1]Patent: WO2020/47447,2020,A1

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