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Chemistry
Heterocyclic Building Blocks
Imidazoles
imidazole
(tert-Butoxycarbonyl)-D-histidine
Chemistry
Biochemical reagent Life Science
Heterocyclic Building Blocks
Organic Building Blocks Amino Acid Amino Acids
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Carbamates N-protective Amino Acid Amino Acid Derivatives
imidazole

[ CAS No. 50654-94-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 50654-94-9
Chemical Structure| 50654-94-9
Structure of 50654-94-9 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 50654-94-9 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification
Alternatived Products of [ 50654-94-9 ]

Product Details of [ 50654-94-9 ]

CAS No. :50654-94-9 MDL No. :MFCD00037851
Formula : C11H17N3O4 Boiling Point : -
Linear Structure Formula :- InChI Key :AYMLQYFMYHISQO-MRVPVSSYSA-N
M.W : 255.27 Pubchem ID :2724761
Synonyms :
Nα-Boc-D-Histidine;Nα-tert-Butoxycarbonyl-D-histidine;N-(t-Butoxycarbonyl)-D-histidine;N-(tert-Butoxycarbonyl)-D-histidine
Chemical Name :Boc-D-His-OH

Calculated chemistry of [ 50654-94-9 ]

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.55
Num. rotatable bonds : 7
Num. H-bond acceptors : 5.0
Num. H-bond donors : 3.0
Molar Refractivity : 63.49
TPSA : 104.31 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.37 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.2
Log Po/w (XLOGP3) : 0.69
Log Po/w (WLOGP) : 0.93
Log Po/w (MLOGP) : -0.41
Log Po/w (SILICOS-IT) : 0.6
Consensus Log Po/w : 0.6

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.6
Solubility : 6.4 mg/ml ; 0.0251 mol/l
Class : Very soluble
Log S (Ali) : -2.46
Solubility : 0.89 mg/ml ; 0.00349 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.02
Solubility : 2.45 mg/ml ; 0.00959 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.99

Safety of [ 50654-94-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 50654-94-9 ]

* 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 [ 50654-94-9 ]

[ 50654-94-9 ] Synthesis Path-Downstream   1~27

  • 1
  • [ 50654-94-9 ]
  • H-Pro-D-Phe-His(NimBzl)-D-Phe-D-Leu-εAhx-OMe*3CH3COOH [ No CAS ]
  • C60H79N11O10 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide In tetrahydrofuran; N,N-dimethyl-formamide at 0℃; for 18h;
Reference： [1]Paruszewski, Ryszard; Strzalkowska, Malgorzata [Polish Journal of Chemistry, 1990, vol. 64, # 1-6, p. 149 - 156]
  • 2
  • [ 50654-94-9 ]
  • [ 457895-12-4 ]
  • [1-[2-(4-butyryl-4-phenyl-piperidin-1-yl)-1-(4-methoxy-benzyl)-2-oxo-ethylcarbamoyl]-2-(3<i>H</i>-imidazol-4-yl)-ethyl]-carbamic acid <i>tert</i>-butyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
With 1-hydroxy-7-aza-benzotriazole; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In dichloromethane; N,N-dimethyl-formamide
Reference： [1]Herpin, Timothy F.; Yu, Guixue; Carlson, Kenneth E.; Morton, George C.; Wu, Ximao; Kang, Liya; Tuerdi, Huji; Khanna, Ashish; Tokarski, John S.; Lawrence, R. Michael; Macor, John E. [Journal of Medicinal Chemistry, 2003, vol. 46, # 7, p. 1123 - 1126]
  • 3
  • [ 50654-94-9 ]
  • [ 131606-24-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: triethylamine (TEA), N-hydroxybenzotriazole (HOBt), dicyclohexylcarbodiimide (DCCI) / tetrahydrofuran; dimethylformamide / 18 h / 0 °C 2: trifluoroacetic acid (TFA) / CH2Cl2 / 0.5 h / Ambient temperature 3: 37 percent / H2, PdO/BaSO4 / methanol; acetic acid; H2O / 72 h / 2280 Torr
Reference： [1]Paruszewski, Ryszard; Strzalkowska, Malgorzata [Polish Journal of Chemistry, 1990, vol. 64, # 1-6, p. 149 - 156]
  • 4
  • [ 50654-94-9 ]
  • H-D-His-Pro-D-Phe-His(NimBzl)-D-Phe-D-Leu-εAhx-OMe*2CH3COOH [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: triethylamine (TEA), N-hydroxybenzotriazole (HOBt), dicyclohexylcarbodiimide (DCCI) / tetrahydrofuran; dimethylformamide / 18 h / 0 °C 2: trifluoroacetic acid (TFA) / CH2Cl2 / 0.5 h / Ambient temperature
Reference： [1]Paruszewski, Ryszard; Strzalkowska, Malgorzata [Polish Journal of Chemistry, 1990, vol. 64, # 1-6, p. 149 - 156]
  • 5
  • [ 50654-94-9 ]
  • (R)-2-amino-3-(1H-imidazol-5-yl)-N-(4-(3-oxomorpholino)phenyl)propanamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: HATU; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide; tetrahydrofuran / 3.25 h / 20 °C / Cooling with ice 2: trifluoroacetic acid / dichloromethane / 3.25 h / 20 °C / Cooling with ice
Reference： [1]Current Patent Assignee: SHANDONG KAISEN PHARMA - CN105294669, 2016, A
  • 6
  • [ 50654-94-9 ]
  • (R)-N-(3-(1H-imidazol-5-yl)-1-oxo-1-(4-(3-oxomorpholino)phenylamino)propan-2-yl)-5-chlorothiophene-2-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: HATU; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide; tetrahydrofuran / 3.25 h / 20 °C / Cooling with ice 2: trifluoroacetic acid / dichloromethane / 3.25 h / 20 °C / Cooling with ice 3: HATU; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide; tetrahydrofuran / 3.25 h / 20 °C / Cooling with ice
Reference： [1]Current Patent Assignee: SHANDONG KAISEN PHARMA - CN105294669, 2016, A
  • 7
  • [ 50654-94-9 ]
  • (R)-5-chloro-N-(3-(1-methyl-1H-imidazol-4-yl)-1-oxo-1-(4-(3-oxomorpholino)phenylamino)propan-2-yl)thiophene-2-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: HATU; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide; tetrahydrofuran / 3.25 h / 20 °C / Cooling with ice 2: trifluoroacetic acid / dichloromethane / 3.25 h / 20 °C / Cooling with ice 3: HATU; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide; tetrahydrofuran / 3.25 h / 20 °C / Cooling with ice 4: sodium hydroxide / dimethyl sulfoxide / 1 h / 20 °C / Cooling with ice
Reference： [1]Current Patent Assignee: SHANDONG KAISEN PHARMA - CN105294669, 2016, A
  • 8
  • [ 50654-94-9 ]
  • (R)-1-(3-(1H-imidazol-5-yl)-1-oxo-1-(4-(3-oxomorpholino)phenylamino)propan-2-yl)-3-(4-chlorophenyl)urea [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: HATU; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide; tetrahydrofuran / 3.25 h / 20 °C / Cooling with ice 2: trifluoroacetic acid / dichloromethane / 3.25 h / 20 °C / Cooling with ice 3: triethylamine / dichloromethane / 1 h / 20 °C / Cooling with ice
Reference： [1]Current Patent Assignee: SHANDONG KAISEN PHARMA - CN105294669, 2016, A
  • 9
  • [ 50654-94-9 ]
  • (R)-1-(4-chlorophenyl)-3-(1-oxo-1-(4-(3-oxomorpholino)phenylamino)-3-(1-trityl-1H-imidazol-5-yl)propan-2-yl)urea [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: HATU; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide; tetrahydrofuran / 3.25 h / 20 °C / Cooling with ice 2: trifluoroacetic acid / dichloromethane / 3.25 h / 20 °C / Cooling with ice 3: triethylamine / dichloromethane / 1 h / 20 °C / Cooling with ice 4: triethylamine / dichloromethane / 1 h / 20 °C
Reference： [1]Current Patent Assignee: SHANDONG KAISEN PHARMA - CN105294669, 2016, A
  • 10
  • [ 50654-94-9 ]
  • (R)-1-(4-chlorophenyl)-3-(3-(1-methyl-1H-imidazol-5-yl)-1-oxo-1-(4-(3-oxomorpholino)phenylamino)propan-2-yl)urea [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: HATU; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide; tetrahydrofuran / 3.25 h / 20 °C / Cooling with ice 2: trifluoroacetic acid / dichloromethane / 3.25 h / 20 °C / Cooling with ice 3: triethylamine / dichloromethane / 1 h / 20 °C / Cooling with ice 4: triethylamine / dichloromethane / 1 h / 20 °C 5: trifluoroacetic acid / dichloromethane / 2 h / 20 °C / Cooling with ice
Reference： [1]Current Patent Assignee: SHANDONG KAISEN PHARMA - CN105294669, 2016, A
  • 11
  • [ 50654-94-9 ]
  • (R)-5-chloro-N-(3-(1-ethyl-1H-imidazol-4-yl)-1-oxo-1-(4-(3-oxomorpholino)phenylamino)propan-2-yl)thiophene-2-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: HATU; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide; tetrahydrofuran / 3.25 h / 20 °C / Cooling with ice 2: trifluoroacetic acid / dichloromethane / 3.25 h / 20 °C / Cooling with ice 3: HATU; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide; tetrahydrofuran / 3.25 h / 20 °C / Cooling with ice 4: potassium carbonate / N,N-dimethyl-formamide / 3 h / 20 °C / Cooling with ice
Reference： [1]Current Patent Assignee: SHANDONG KAISEN PHARMA - CN105294669, 2016, A
  • 12
  • [ 50654-94-9 ]
  • [ 438056-69-0 ]
  • (R)-tert-butyl-3-(1H-imidazol-5-yl)-1-oxo-1-(4-(3-oxomorpholino)phenylamino)propan-2-ylcarbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With N-ethyl-N,N-diisopropylamine; HATU In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 3.25h; Cooling with ice; 6.1 1. Preparation of intermediate (R)-tert-butyl-3-(1H-imidazol-5-yl)-1-oxo-1-(4-(3-oxomorpholino)-phenylamino)-propan-2-ylcarbamate 4- (4-aminophenyl) morpholin-3-one (2.0g,10.41mmol) was dissolved in N,N- dimethylformamide (10ml) and tetrahydrofuran(20ml). Add under ice-cooling N,N- diisopropylethylamine (5.4g, 41.64mmol) and Boc-D-histidine-OH (2.66g, 10.41mmol), and finally added 2- (7-azo BTA) -N, N,N ' , N'- tetramethyluronium hexafluorophosphate (HATU) (4.75g, 12.49mmol), The reaction was stirred at ice bath for 15 minutes, then go to room temperature for 3 hours. LCMS the reaction was complete, quenched with small amount of water, washed with ethyl acetate and extracted three times, the combined organic phases were washed with saturated brine, dried over anhydrous sodium sulfate, and concentrated. The resulting residue was purified by column chromatography (dichloromethane: methanol = 50: 1 to 15: 1) to afford an off-white solid, 1.21 g of, purity: 94%, yield: 27%.
Reference： [1]Current Patent Assignee: SHANDONG KAISEN PHARMA - CN105294669, 2016, A Location in patent: Paragraph 0080; 0081
  • 13
  • [ 58519-05-4 ]
  • [ 50654-94-9 ]
  • tri-tert-butyl ((2R,2’R,2”R)-((9,10-dihydro-9,10-[1,2]benzenoanthracene-2,7,15-triyl)tris(azanediyl))tris(3-(1H-imidazol-4-yl)-1-oxopropane-1,2-diyl))tricarbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; 11 Tri-tert-butyl ((2R,2'R,2''R)-((9,10-dihydro-9,10-[l,2]benzenoanthracene-2,7,15- triyl) tris (azanediyl)) tris (3-(lH-imidazol-4-yl)-l-oxopropane-l,2-diyl))tricarbamate. To a stirred solution of 9,10-dihydro-9,10-[l,2]benzenoanthracene-2,7, 15-triamine (2) (0.25 g, 0.84 mmol) in DMF (6 mL) was added Boc-D-Histidine (0.68g, 2.67 mmol), HATU (1.01 g, 2.67 mmol), DIPEA (0.69g, 5.35 mmol) at room temperature. The resulting reaction mixture was stirred over night at room temperature. The reaction mixture was poured in ice-cold water and residues obtained were collected through filtration, dried under reduced pressure to get crude 3 (0.75g, 88.9%) as white solid which was directly used in the next step without purification. MS (ESI-MS): m/z calcd for C53H62N12O9 [MH]+ 1011.48, found 1011.6.
Reference： [1]Current Patent Assignee: ARRAKIS THERAPEUTICS INC - WO2017/136450, 2017, A2 Location in patent: Paragraph 00415; 00416
  • 14
  • [ 6066-82-6 ]
  • [ 50654-94-9 ]
  • C15H20N4O6 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With dicyclohexyl-carbodiimide at 0℃; Chemical synthesis of AA-CAM derivatives General procedure: The general scheme for the synthesis of AA-CAMderivatives is shown in Fig. S1 and the details ofchemical synthesis are provided in the SupplementaryMethods section. CAM [(1R,2R)-2-amino-1-(4--nitrophenyl)propane-1,3-diol)] was prepared asdescribed previously [23]. Amino acids with protectedα- and side-chain amino groups wereactivated by reaction with N-hydroxysuccinimide inthe presence of N,N′-dicyclohexylcarbodiimide at0 °C. The resulting succinimide-reactive esters wereused for the acylation of CAM in the presence ofdiisopropylethylamine as a base at room temperature.Subsequent deprotection was achieved bytreatment of the obtained amino-acid CAM derivativeswith trifluoroacetic acid and appropriate scavengers.Synthesized AA-CAM derivatives were purifiedby columnchromatography on silica gel using suitablesystems of solvents. For generating N-acetylatedvariants of AA-CAM, additional acetylation wasperformed by reacting the unprotected AA-CAMderivatives with the N-acetylsuccinimide. Purity andchemical structures of obtained compounds wereconfirmed by HPLC, LC-MS, and NMR spectroscopy(see Supplementary Methods).
Reference： [1]Tereshchenkov, Andrey G.; Dobosz-Bartoszek, Malgorzata; Osterman, Ilya A.; Marks, James; Sergeeva, Vasilina A.; Kasatsky, Pavel; Komarova, Ekaterina S.; Stavrianidi, Andrey N.; Rodin, Igor A.; Konevega, Andrey L.; Sergiev, Petr V.; Sumbatyan, Natalia V.; Mankin, Alexander S.; Bogdanov, Alexey A.; Polikanov, Yury S. [Journal of Molecular Biology, 2018, vol. 430, # 6, p. 842 - 852]
  • 15
  • [ 50654-94-9 ]
  • D-histidyl-chloramphenicol amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: dicyclohexyl-carbodiimide / 0 °C 2: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20 °C 3: trifluoroacetic acid
Reference： [1]Tereshchenkov, Andrey G.; Dobosz-Bartoszek, Malgorzata; Osterman, Ilya A.; Marks, James; Sergeeva, Vasilina A.; Kasatsky, Pavel; Komarova, Ekaterina S.; Stavrianidi, Andrey N.; Rodin, Igor A.; Konevega, Andrey L.; Sergiev, Petr V.; Sumbatyan, Natalia V.; Mankin, Alexander S.; Bogdanov, Alexey A.; Polikanov, Yury S. [Journal of Molecular Biology, 2018, vol. 430, # 6, p. 842 - 852]
  • 16
  • [ 50654-94-9 ]
  • C20H27N5O7 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: dicyclohexyl-carbodiimide / 0 °C 2: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20 °C
Reference： [1]Tereshchenkov, Andrey G.; Dobosz-Bartoszek, Malgorzata; Osterman, Ilya A.; Marks, James; Sergeeva, Vasilina A.; Kasatsky, Pavel; Komarova, Ekaterina S.; Stavrianidi, Andrey N.; Rodin, Igor A.; Konevega, Andrey L.; Sergiev, Petr V.; Sumbatyan, Natalia V.; Mankin, Alexander S.; Bogdanov, Alexey A.; Polikanov, Yury S. [Journal of Molecular Biology, 2018, vol. 430, # 6, p. 842 - 852]
  • 17
  • [ 100-39-0 ]
  • [ 50654-94-9 ]
  • C32H36N3O4(1+)*Br(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
78% Stage #1: N-Boc-L-histidine With sodium hydrogencarbonate In acetonitrile at 20℃; for 1h; Stage #2: benzyl bromide In acetonitrile at 110℃; for 16h;
Reference： [1]Berghausen, Tobias O.; Correia, João D. G.; Dominelli, Bruno; Hahn, Eva M.; Jakob, Christian H. G.; Kühn, Fritz E.; Marques, Fernanda; Pinheiro, Teresa; Reich, Robert M. [Chemistry - An Asian Journal, 2020]
  • 18
  • [ 50654-94-9 ]
  • [ 74-88-4 ]
  • C14H24N3O4(1+)*I(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
90% Stage #1: N-Boc-L-histidine With sodium hydrogencarbonate In acetonitrile at 20℃; Stage #2: methyl iodide In acetonitrile at 110℃; for 16h;
Reference： [1]Berghausen, Tobias O.; Correia, João D. G.; Dominelli, Bruno; Hahn, Eva M.; Jakob, Christian H. G.; Kühn, Fritz E.; Marques, Fernanda; Pinheiro, Teresa; Reich, Robert M. [Chemistry - An Asian Journal, 2020]
  • 19
  • [ 50654-94-9 ]
  • C16H26AuN6O4(1+)*2C2HF3O2*C2F3O2(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: sodium hydrogencarbonate / acetonitrile / 20 °C 1.2: 16 h / 110 °C 2.1: silver(l) oxide / dichloromethane / 0.5 h / 20 °C 2.2: 16 h / 20 °C 2.3: 0.25 h / 20 °C 3.1: lithium hydroxide; water / tetrahydrofuran / 1 h / 20 °C 4.1: dichloromethane / 2 h / 20 °C
Reference： [1]Berghausen, Tobias O.; Correia, João D. G.; Dominelli, Bruno; Hahn, Eva M.; Jakob, Christian H. G.; Kühn, Fritz E.; Marques, Fernanda; Pinheiro, Teresa; Reich, Robert M. [Chemistry - An Asian Journal, 2020]
  • 20
  • [ 50654-94-9 ]
  • C16H26AuN6O4(1+)*2C2HF3O2*C2F3O2(1-) [ No CAS ]
  • C17H28AuN6O4(1+)*2C2HF3O2*C2F3O2(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: sodium hydrogencarbonate / acetonitrile / 20 °C 1.2: 16 h / 110 °C 2.1: silver(l) oxide / dichloromethane / 0.5 h / 20 °C 2.2: 16 h / 20 °C 2.3: 0.25 h / 20 °C 3.1: dichloromethane / 2 h / 20 °C 4.1: water / dimethyl sulfoxide / 48 h / 37 °C / Microbiological reaction
Reference： [1]Berghausen, Tobias O.; Correia, João D. G.; Dominelli, Bruno; Hahn, Eva M.; Jakob, Christian H. G.; Kühn, Fritz E.; Marques, Fernanda; Pinheiro, Teresa; Reich, Robert M. [Chemistry - An Asian Journal, 2020]
  • 21
  • [ 50654-94-9 ]
  • C40H42AuN6O4(1+)*2C2HF3O2*C2F3O2(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: sodium hydrogencarbonate / acetonitrile / 1 h / 20 °C 1.2: 16 h / 110 °C 2.1: silver(l) oxide / dichloromethane / 20 °C 2.2: 16 h / 20 °C 2.3: 0.25 h / 20 °C 3.1: water / tetrahydrofuran / 1 h / 20 °C 4.1: dichloromethane / 2 h / 20 °C
Multi-step reaction with 4 steps 1.1: sodium hydrogencarbonate / acetonitrile / 1 h / 20 °C 1.2: 16 h / 110 °C 2.1: silver(l) oxide / dichloromethane / 20 °C 2.2: 16 h / 20 °C 2.3: 0.25 h / 20 °C 3.1: dichloromethane / 2 h / 20 °C 4.1: water / dimethyl sulfoxide / 48 h / 37 °C / Microbiological reaction
Reference： [1]Berghausen, Tobias O.; Correia, João D. G.; Dominelli, Bruno; Hahn, Eva M.; Jakob, Christian H. G.; Kühn, Fritz E.; Marques, Fernanda; Pinheiro, Teresa; Reich, Robert M. [Chemistry - An Asian Journal, 2020]
[2]Berghausen, Tobias O.; Correia, João D. G.; Dominelli, Bruno; Hahn, Eva M.; Jakob, Christian H. G.; Kühn, Fritz E.; Marques, Fernanda; Pinheiro, Teresa; Reich, Robert M. [Chemistry - An Asian Journal, 2020]
  • 22
  • [ 50654-94-9 ]
  • C26H42AuN6O8(1+)*C2H3O2(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: sodium hydrogencarbonate / acetonitrile / 20 °C 1.2: 16 h / 110 °C 2.1: silver(l) oxide / dichloromethane / 0.5 h / 20 °C 2.2: 16 h / 20 °C 2.3: 0.25 h / 20 °C 3.1: lithium hydroxide; water / tetrahydrofuran / 1 h / 20 °C
Reference： [1]Berghausen, Tobias O.; Correia, João D. G.; Dominelli, Bruno; Hahn, Eva M.; Jakob, Christian H. G.; Kühn, Fritz E.; Marques, Fernanda; Pinheiro, Teresa; Reich, Robert M. [Chemistry - An Asian Journal, 2020]
  • 23
  • [ 50654-94-9 ]
  • C28H46AuN6O8(1+)*C2H3O2(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: sodium hydrogencarbonate / acetonitrile / 20 °C 1.2: 16 h / 110 °C 2.1: silver(l) oxide / dichloromethane / 0.5 h / 20 °C 2.2: 16 h / 20 °C 2.3: 0.25 h / 20 °C
Reference： [1]Berghausen, Tobias O.; Correia, João D. G.; Dominelli, Bruno; Hahn, Eva M.; Jakob, Christian H. G.; Kühn, Fritz E.; Marques, Fernanda; Pinheiro, Teresa; Reich, Robert M. [Chemistry - An Asian Journal, 2020]
  • 24
  • [ 50654-94-9 ]
  • C50H58AuN6O8(1+)*C2H3O2(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: sodium hydrogencarbonate / acetonitrile / 1 h / 20 °C 1.2: 16 h / 110 °C 2.1: silver(l) oxide / dichloromethane / 20 °C 2.2: 16 h / 20 °C 2.3: 0.25 h / 20 °C 3.1: water / tetrahydrofuran / 1 h / 20 °C
Reference： [1]Berghausen, Tobias O.; Correia, João D. G.; Dominelli, Bruno; Hahn, Eva M.; Jakob, Christian H. G.; Kühn, Fritz E.; Marques, Fernanda; Pinheiro, Teresa; Reich, Robert M. [Chemistry - An Asian Journal, 2020]
  • 25
  • [ 50654-94-9 ]
  • C64H70AuN6O8(1+)*C2H3O2(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: sodium hydrogencarbonate / acetonitrile / 1 h / 20 °C 1.2: 16 h / 110 °C 2.1: silver(l) oxide / dichloromethane / 20 °C 2.2: 16 h / 20 °C 2.3: 0.25 h / 20 °C
Reference： [1]Berghausen, Tobias O.; Correia, João D. G.; Dominelli, Bruno; Hahn, Eva M.; Jakob, Christian H. G.; Kühn, Fritz E.; Marques, Fernanda; Pinheiro, Teresa; Reich, Robert M. [Chemistry - An Asian Journal, 2020]
  • 26
  • [ 50654-94-9 ]
  • C18H30AuN6O4(1+)*2C2HF3O2*C2F3O2(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: sodium hydrogencarbonate / acetonitrile / 20 °C 1.2: 16 h / 110 °C 2.1: silver(l) oxide / dichloromethane / 0.5 h / 20 °C 2.2: 16 h / 20 °C 2.3: 0.25 h / 20 °C 3.1: dichloromethane / 2 h / 20 °C
Reference： [1]Berghausen, Tobias O.; Correia, João D. G.; Dominelli, Bruno; Hahn, Eva M.; Jakob, Christian H. G.; Kühn, Fritz E.; Marques, Fernanda; Pinheiro, Teresa; Reich, Robert M. [Chemistry - An Asian Journal, 2020]
  • 27
  • [ 50654-94-9 ]
  • C54H54AuN6O4(1+)*2C2HF3O2*C2F3O2(1-) [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: sodium hydrogencarbonate / acetonitrile / 1 h / 20 °C 1.2: 16 h / 110 °C 2.1: silver(l) oxide / dichloromethane / 20 °C 2.2: 16 h / 20 °C 2.3: 0.25 h / 20 °C 3.1: dichloromethane / 2 h / 20 °C
Reference： [1]Berghausen, Tobias O.; Correia, João D. G.; Dominelli, Bruno; Hahn, Eva M.; Jakob, Christian H. G.; Kühn, Fritz E.; Marques, Fernanda; Pinheiro, Teresa; Reich, Robert M. [Chemistry - An Asian Journal, 2020]
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