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Chemistry
Organic Building Blocks
Aryls
cyclopropanecarbonitrile
1-(3,4-Dichlorophenyl)cyclopropanecarbonitrile
Chemistry
Organic Building Blocks
Aryls
Chlorides Nitriles Aliphatic Cyclic Hydrocarbons Benzene Compounds
cyclopropanecarbonitrile
1-phenylcyclopropane-1-carbonitrile dichlorophenyl

[ CAS No. 124276-57-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 124276-57-9
Chemical Structure| 124276-57-9
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Quality Control of [ 124276-57-9 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification
Alternatived Products of [ 124276-57-9 ]

Product Details of [ 124276-57-9 ]

CAS No. :124276-57-9 MDL No. :MFCD09743443
Formula : C10H7Cl2N Boiling Point : -
Linear Structure Formula :- InChI Key :SJDZLTHRJVBKJM-UHFFFAOYSA-N
M.W : 212.08 Pubchem ID :11600939
Synonyms :

Calculated chemistry of [ 124276-57-9 ]

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.3
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 53.37
TPSA : 23.79 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.04 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.38
Log Po/w (XLOGP3) : 3.59
Log Po/w (WLOGP) : 3.49
Log Po/w (MLOGP) : 3.12
Log Po/w (SILICOS-IT) : 4.09
Consensus Log Po/w : 3.33

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.69
Solubility : 0.0431 mg/ml ; 0.000203 mol/l
Class : Soluble
Log S (Ali) : -3.78
Solubility : 0.0355 mg/ml ; 0.000167 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.54
Solubility : 0.0061 mg/ml ; 0.0000288 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 1.51

Safety of [ 124276-57-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362 UN#:N/A
Hazard Statements:H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 124276-57-9 ]

* 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 [ 124276-57-9 ]

[ 124276-57-9 ] Synthesis Path-Downstream   1~26

  • 1
  • 4-Chloro-2-cyano-2-(3,4-dichloro-phenyl)-butyric acid ethyl ester [ No CAS ]
  • [ 124276-57-9 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide In methanol for 12h; Ambient temperature;
Reference： [1]Cheng, CY; Lu, HY; Lee, FM [European Journal of Medicinal Chemistry, 1991, vol. 26, # 2, p. 125 - 128]
  • 2
  • [ 124276-57-9 ]
  • [ 342386-78-1 ]
YieldReaction ConditionsOperation in experiment
71% With potassium hydroxide In ethylene glycol for 10h; Heating;
With hydrogenchloride at 100℃; for 12h;
With lithium hydroxide In water for 18h; Reflux;
With lithium hydroxide In water; ethylene glycol at 100℃; for 24h;

Reference： [1]Akopyan; Martirosyan; Mndzhoyan; Ter-Zakharyan; Kazaryan; Aleksanyan [Pharmaceutical Chemistry Journal, 2001, vol. 35, # 8, p. 421 - 423]
[2]Cheng, CY; Lu, HY; Lee, FM [European Journal of Medicinal Chemistry, 1991, vol. 26, # 2, p. 125 - 128]
[3]Gieuw, Matthew H.; Leung, Vincent Ming-Yau; Ke, Zhihai; Yeung, Ying-Yeung [Advanced Synthesis and Catalysis, 2018, vol. 360, # 22, p. 4306 - 4311]
[4]Shi, Yongjia; Gao, Qian; Xu, Senmiao [Journal of the American Chemical Society, 2019, vol. 141, # 27, p. 10599 - 10604]
  • 3
  • [ 106-93-4 ]
  • [ 3218-49-3 ]
  • [ 124276-57-9 ]
YieldReaction ConditionsOperation in experiment
77% With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In water at 55 - 75℃; for 2h;
Stage #1: 3,4-dichloro-benzeneacetonitrile With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.25h; Stage #2: ethylene dibromide In N,N-dimethyl-formamide for 18h;
Reference： [1]Akopyan; Martirosyan; Mndzhoyan; Ter-Zakharyan; Kazaryan; Aleksanyan [Pharmaceutical Chemistry Journal, 2001, vol. 35, # 8, p. 421 - 423]
[2]Gieuw, Matthew H.; Leung, Vincent Ming-Yau; Ke, Zhihai; Yeung, Ying-Yeung [Advanced Synthesis and Catalysis, 2018, vol. 360, # 22, p. 4306 - 4311]
  • 4
  • [ 96-49-1 ]
  • [ 3218-49-3 ]
  • [ 124276-57-9 ]
YieldReaction ConditionsOperation in experiment
53% With potassium carbonate at 145 - 150℃; for 1h;
Reference： [1]Arava, Veera Reddy; Siripalli, Udaya Bhaskara Rao; Dubey, Pramod Kumar [Tetrahedron Letters, 2005, vol. 46, # 42, p. 7247 - 7248]
  • 5
  • [ 124276-57-9 ]
  • [ 437650-07-2 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 71 percent / KOH / ethane-1,2-diol / 10 h / Heating 2: SOCl2 / benzene / 8 h / Heating
Multi-step reaction with 2 steps 1: aq. conc. HCl / 12 h / 100 °C 2: SOCl2 / CH2Cl2 / 6 h
Reference： [1]Akopyan; Martirosyan; Mndzhoyan; Ter-Zakharyan; Kazaryan; Aleksanyan [Pharmaceutical Chemistry Journal, 2001, vol. 35, # 8, p. 421 - 423]
[2]Cheng, CY; Lu, HY; Lee, FM [European Journal of Medicinal Chemistry, 1991, vol. 26, # 2, p. 125 - 128]
  • 6
  • [ 124276-57-9 ]
  • C13H12Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 71 percent / KOH / ethane-1,2-diol / 10 h / Heating 2: triethylamine / acetone / 2.5 h / 0 - 20 °C
Reference： [1]Akopyan; Martirosyan; Mndzhoyan; Ter-Zakharyan; Kazaryan; Aleksanyan [Pharmaceutical Chemistry Journal, 2001, vol. 35, # 8, p. 421 - 423]
  • 7
  • [ 124276-57-9 ]
  • (2S,5R,6R)-6-[1-(3,4-Dichloro-phenyl)-cyclopropanecarbonyl]-amino}-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 71 percent / KOH / ethane-1,2-diol / 10 h / Heating 2: SOCl2 / benzene / 8 h / Heating 3: NaHCO3 / H2O; acetone / 2 h / 0 - 20 °C
Reference： [1]Akopyan; Martirosyan; Mndzhoyan; Ter-Zakharyan; Kazaryan; Aleksanyan [Pharmaceutical Chemistry Journal, 2001, vol. 35, # 8, p. 421 - 423]
  • 8
  • [ 124276-57-9 ]
  • (6R,7R)-7-[1-(3,4-Dichloro-phenyl)-cyclopropanecarbonyl]-amino}-3-methyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 71 percent / KOH / ethane-1,2-diol / 10 h / Heating 2: SOCl2 / benzene / 8 h / Heating 3: NaHCO3 / H2O; acetone / 2 h / 0 - 20 °C
Reference： [1]Akopyan; Martirosyan; Mndzhoyan; Ter-Zakharyan; Kazaryan; Aleksanyan [Pharmaceutical Chemistry Journal, 2001, vol. 35, # 8, p. 421 - 423]
  • 9
  • [ 124276-57-9 ]
  • (6R,7R)-3-Acetoxymethyl-7-[1-(3,4-dichloro-phenyl)-cyclopropanecarbonyl]-amino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 71 percent / KOH / ethane-1,2-diol / 10 h / Heating 2: SOCl2 / benzene / 8 h / Heating 3: NaHCO3 / H2O; acetone / 2 h / 0 - 20 °C
Reference： [1]Akopyan; Martirosyan; Mndzhoyan; Ter-Zakharyan; Kazaryan; Aleksanyan [Pharmaceutical Chemistry Journal, 2001, vol. 35, # 8, p. 421 - 423]
  • 10
  • [ 124276-57-9 ]
  • Sodium; (2S,5R,6R)-6-[1-(3,4-dichloro-phenyl)-cyclopropanecarbonyl]-amino}-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 71 percent / KOH / ethane-1,2-diol / 10 h / Heating 2: triethylamine / acetone / 2.5 h / 0 - 20 °C 3: NaHCO3 / acetone / 4 h
Reference： [1]Akopyan; Martirosyan; Mndzhoyan; Ter-Zakharyan; Kazaryan; Aleksanyan [Pharmaceutical Chemistry Journal, 2001, vol. 35, # 8, p. 421 - 423]
  • 11
  • [ 124276-57-9 ]
  • Sodium; (6R,7R)-7-[1-(3,4-dichloro-phenyl)-cyclopropanecarbonyl]-amino}-3-methyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 71 percent / KOH / ethane-1,2-diol / 10 h / Heating 2: triethylamine / acetone / 2.5 h / 0 - 20 °C 3: NaHCO3 / acetone / 4 h
Reference： [1]Akopyan; Martirosyan; Mndzhoyan; Ter-Zakharyan; Kazaryan; Aleksanyan [Pharmaceutical Chemistry Journal, 2001, vol. 35, # 8, p. 421 - 423]
  • 12
  • [ 124276-57-9 ]
  • Sodium; (6R,7R)-3-acetoxymethyl-7-[1-(3,4-dichloro-phenyl)-cyclopropanecarbonyl]-amino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 71 percent / KOH / ethane-1,2-diol / 10 h / Heating 2: triethylamine / acetone / 2.5 h / 0 - 20 °C 3: NaHCO3 / acetone / 4 h
Reference： [1]Akopyan; Martirosyan; Mndzhoyan; Ter-Zakharyan; Kazaryan; Aleksanyan [Pharmaceutical Chemistry Journal, 2001, vol. 35, # 8, p. 421 - 423]
  • 13
  • [ 82144-38-5 ]
  • [ 124276-57-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: K-t-butoxide / dimethylformamide / 24 h / Ambient temperature 2: aq. NaOH / methanol / 12 h / Ambient temperature
Reference： [1]Cheng, CY; Lu, HY; Lee, FM [European Journal of Medicinal Chemistry, 1991, vol. 26, # 2, p. 125 - 128]
  • 14
  • [ 124276-57-9 ]
  • [ 135522-12-2 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: aq. conc. HCl / 12 h / 100 °C 2: SOCl2 / CH2Cl2 / 6 h 3: Et3N / CH2Cl2 / 2 h / 1.) 0 deg C, 2.) RT, 2 h
Reference： [1]Cheng, CY; Lu, HY; Lee, FM [European Journal of Medicinal Chemistry, 1991, vol. 26, # 2, p. 125 - 128]
  • 15
  • [ 3218-49-3 ]
  • [ 124276-57-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: NaNH2 / diethyl ether 2: K-t-butoxide / dimethylformamide / 24 h / Ambient temperature 3: aq. NaOH / methanol / 12 h / Ambient temperature
Reference： [1]Cheng, CY; Lu, HY; Lee, FM [European Journal of Medicinal Chemistry, 1991, vol. 26, # 2, p. 125 - 128]
  • 16
  • [ 109-04-6 ]
  • [ 124276-57-9 ]
  • [ 1358804-08-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: n-hexyllithium / tetrahydrofuran; hexane / 0.17 h / -75 °C 1.2: 0.25 h 1.3: 0.25 h / 50 °C 2.1: (-)-diisopinocamphenylborane chloride / tetrahydrofuran / 2 h / 5 °C
Multi-step reaction with 2 steps 1.1: n-hexyllithium / tetrahydrofuran; hexane / 0.17 h / -75 °C 1.2: 0.25 h 1.3: 0.25 h / 50 °C 2.1: (+)-B-chlorodiisopinocampheylborane / tetrahydrofuran / 2 h / 5 °C
Reference： [1]Current Patent Assignee: ABBVIE INC - US2013/131036, 2013, A1
[2]Current Patent Assignee: ABBVIE INC - WO2013/62966, 2013, A2
  • 17
  • [ 109-04-6 ]
  • [ 124276-57-9 ]
  • [ 1432493-03-2 ]
YieldReaction ConditionsOperation in experiment
92% Stage #1: 2-bromo-pyridine With n-hexyllithium In tetrahydrofuran; hexane at -75℃; for 0.166667h; Stage #2: 1-(3,4-dichlorophenyl)cyclopropanecarbonitrile In tetrahydrofuran; hexane for 0.25h; Stage #3: With sulfuric acid at 50℃; for 0.25h; 231A Example 231A Example 231A [1-(3,4-dichlorophenyl)cyclopropyl](pyridin-2-yl)methanone A solution of 2-bromopyridine (0.688 mL, 7.07 mmol) in THF (10 mL) was cooled to -75° C. 2.3M n-Hexyllithium (3.08 mL, 7.07 mmol) in hexane was added dropwise at -75° C. After 10 minutes, 1-(3,4-dichlorophenyl)cyclopropanecarbonitrile (1.00 g, 4.72 mmol) was added. After 15 minutes, 2N sulfuric acid (10 mL) was added and the mixture was heated at 50° C. for 15 minutes. The mixture was cooled to ambient temperature, diluted with MTBE and water, and partitioned. The organic layer was washed with brine, dried over Na2SO4, filtered, and concentrated. The residue was chromatographed on silica gel and eluted with 0-20% EtOAc in hexanes to give Example 231A (1.27 g, 92% yield). MS (DCIf): m/z 290.2 (M+H). 1H NMR (300 MHz, DMSO-d6) δ 8.46 (ddd, J=4.7, 1.7, 1.0 Hz, 1H), 7.91 (td, J=7.7, 1.7 Hz, 1H), 7.82-7.76 (m, 1H), 7.52 (d, J=2.1 Hz, 1H), 7.50-7.42 (m, 2H), 7.22 (dd, J=8.4, 2.1 Hz, 1H), 1.75 (q, J=4.2 Hz, 2H), 1.45 (q, J=4.3 Hz, 2H).
92% Stage #1: 2-bromo-pyridine With n-hexyllithium In tetrahydrofuran; hexane at -75℃; for 0.166667h; Stage #2: 1-(3,4-dichlorophenyl)cyclopropanecarbonitrile In tetrahydrofuran; hexane for 0.25h; Stage #3: With sulfuric acid In tetrahydrofuran; hexane at 50℃; for 0.25h; 231A [ 1 -(3 ,4-dichlorophenyl)cyclopropyl](pyridin-2-yl)methanone [ 1 -(3 ,4-dichlorophenyl)cyclopropyl](pyridin-2-yl)methanone[520] A solution of 2-bromopyridine (0.688 mL, 7.07 mmol) in THF (10 mL) was cooled to -75°C. 2.3M n-Hexyllithium (3.08 mL, 7.07 mmol) in hexane was added dropwise at -75°C. After 10 minutes, l-(3,4-dichlorophenyl)cyclopropanecarbonitrile (1.00 g, 4.72 mmol) was added. After 15 minutes, 2N sulfuric acid (10 mL) was added and the mixture was heated at 50 °C for 15 minutes. The mixture was cooled to ambient temperature, diluted with MTBE and water, and partitioned. The organic layer was washed with brine, dried over Na2S04, filtered, and concentrated. The residue waschromatographed on silica gel and eluted with 0-20 % EtOAc in hexanes to give Example 231 A (1.27 g, 92% yield). MS (DCI+): m/z 290.2 (M+H). ? NMR (300 MHz, DMSO-d6) ? 8.46 (ddd, J= 4.7, 1.7, 1.0 Hz, 1H), 7.91 (td, J= 7.7, 1.7 Hz, 1H), 7.82 - 7.76 (m, 1H), 7.52 (d, J= 2.1 Hz, 1H), 7.50 - 7.42 (m, 2H), 7.22 (dd, J= 8.4, 2.1 Hz, 1H), 1.75 (q, J = 4.2 Hz, 2H), 1.45 (q, J= 4.3 Hz, 2H).
Reference： [1]Current Patent Assignee: ABBVIE INC - US2013/131036, 2013, A1 Location in patent: Paragraph 1994; 1995
[2]Current Patent Assignee: ABBVIE INC - WO2013/62966, 2013, A2 Location in patent: Paragraph 519; 520
  • 18
  • [ 124276-57-9 ]
  • C21H19BrCl2O4 [ No CAS ]
  • C21H19BrCl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 7 steps 1.1: lithium hydroxide / water / 18 h / Reflux 2.1: sulfuric acid / 18 h / Reflux 3.1: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 0 °C 4.1: triethylamine / dichloromethane / 2 h / 0 °C 5.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / 0 °C 5.2: 72 h / 0 - 25 °C 6.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / 0 °C 6.2: 12 h 7.1: triphenylphosphine sulfide; water; N-Bromosuccinimide / dichloromethane / 24 h / 25 °C
Reference： [1]Gieuw, Matthew H.; Leung, Vincent Ming-Yau; Ke, Zhihai; Yeung, Ying-Yeung [Advanced Synthesis and Catalysis, 2018, vol. 360, # 22, p. 4306 - 4311]
  • 19
  • [ 124276-57-9 ]
  • methyl 1-(3,4-dichlorophenyl)cyclopropanecarboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: lithium hydroxide / water / 18 h / Reflux 2: sulfuric acid / 18 h / Reflux
Reference： [1]Gieuw, Matthew H.; Leung, Vincent Ming-Yau; Ke, Zhihai; Yeung, Ying-Yeung [Advanced Synthesis and Catalysis, 2018, vol. 360, # 22, p. 4306 - 4311]
  • 20
  • [ 124276-57-9 ]
  • C10H10Cl2O [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: lithium hydroxide / water / 18 h / Reflux 2: sulfuric acid / 18 h / Reflux 3: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 0 °C
Reference： [1]Gieuw, Matthew H.; Leung, Vincent Ming-Yau; Ke, Zhihai; Yeung, Ying-Yeung [Advanced Synthesis and Catalysis, 2018, vol. 360, # 22, p. 4306 - 4311]
  • 21
  • [ 124276-57-9 ]
  • C11H12Cl2O3S [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: lithium hydroxide / water / 18 h / Reflux 2: sulfuric acid / 18 h / Reflux 3: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 0 °C 4: triethylamine / dichloromethane / 2 h / 0 °C
Reference： [1]Gieuw, Matthew H.; Leung, Vincent Ming-Yau; Ke, Zhihai; Yeung, Ying-Yeung [Advanced Synthesis and Catalysis, 2018, vol. 360, # 22, p. 4306 - 4311]
  • 22
  • [ 124276-57-9 ]
  • C15H16Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1.1: lithium hydroxide / water / 18 h / Reflux 2.1: sulfuric acid / 18 h / Reflux 3.1: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 0 °C 4.1: triethylamine / dichloromethane / 2 h / 0 °C 5.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / 0 °C 5.2: 72 h / 0 - 25 °C
Reference： [1]Gieuw, Matthew H.; Leung, Vincent Ming-Yau; Ke, Zhihai; Yeung, Ying-Yeung [Advanced Synthesis and Catalysis, 2018, vol. 360, # 22, p. 4306 - 4311]
  • 23
  • [ 124276-57-9 ]
  • C22H22Cl2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1.1: lithium hydroxide / water / 18 h / Reflux 2.1: sulfuric acid / 18 h / Reflux 3.1: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 0 °C 4.1: triethylamine / dichloromethane / 2 h / 0 °C 5.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / 0 °C 5.2: 72 h / 0 - 25 °C 6.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / 0 °C 6.2: 12 h
Reference： [1]Gieuw, Matthew H.; Leung, Vincent Ming-Yau; Ke, Zhihai; Yeung, Ying-Yeung [Advanced Synthesis and Catalysis, 2018, vol. 360, # 22, p. 4306 - 4311]
  • 24
  • [ 124276-57-9 ]
  • C20H28BCl2NO3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: lithium hydroxide / water; ethylene glycol / 24 h / 100 °C 2: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / dichloromethane / 12 h / 20 °C 3: bis(1,5-cyclooctadiene)diiridium(I) dichloride; C49H56BN3Si / tetrahydrofuran / 36 h / 60 °C / Schlenk technique
Reference： [1]Shi, Yongjia; Gao, Qian; Xu, Senmiao [Journal of the American Chemical Society, 2019, vol. 141, # 27, p. 10599 - 10604]
  • 25
  • [ 124276-57-9 ]
  • C14H17Cl2NO [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: lithium hydroxide / water; ethylene glycol / 24 h / 100 °C 2: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / dichloromethane / 12 h / 20 °C
Reference： [1]Shi, Yongjia; Gao, Qian; Xu, Senmiao [Journal of the American Chemical Society, 2019, vol. 141, # 27, p. 10599 - 10604]
  • 26
  • [ 107-04-0 ]
  • [ 3218-49-3 ]
  • [ 124276-57-9 ]
YieldReaction ConditionsOperation in experiment
With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In water at 50℃; for 12h;
Reference： [1]Shi, Yongjia; Gao, Qian; Xu, Senmiao [Journal of the American Chemical Society, 2019, vol. 141, # 27, p. 10599 - 10604]

Tags: 124276-57-9 synthesis path| 124276-57-9 SDS| 124276-57-9 COA| 124276-57-9 purity| 124276-57-9 application| 124276-57-9 NMR| 124276-57-9 COA| 124276-57-9 structure

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Chlorides
dichlorophenyl
Chemistry
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