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Product Details of [ 2393-23-9 ]

CAS No. :2393-23-9 MDL No. :MFCD00008122
Formula : C8H11NO Boiling Point : -
Linear Structure Formula :- InChI Key :IDPURXSQCKYKIJ-UHFFFAOYSA-N
M.W :137.18 Pubchem ID :75452
Synonyms :

Calculated chemistry of [ 2393-23-9 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.25
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 40.61
TPSA : 35.25 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.54 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.7
Log Po/w (XLOGP3) : 0.84
Log Po/w (WLOGP) : 1.0
Log Po/w (MLOGP) : 1.21
Log Po/w (SILICOS-IT) : 1.43
Consensus Log Po/w : 1.24

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.53
Solubility : 4.03 mg/ml ; 0.0294 mol/l
Class : Very soluble
Log S (Ali) : -1.16
Solubility : 9.42 mg/ml ; 0.0687 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.54
Solubility : 0.396 mg/ml ; 0.00288 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.0

Safety of [ 2393-23-9 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338 UN#:2735
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 2393-23-9 ]

* 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.

  • Upstream synthesis route of [ 2393-23-9 ]
  • Downstream synthetic route of [ 2393-23-9 ]

[ 2393-23-9 ] Synthesis Path-Upstream   1~32

  • 1
  • [ 77287-34-4 ]
  • [ 2393-23-9 ]
  • [ 17061-63-1 ]
YieldReaction ConditionsOperation in experiment
87% at 20℃; for 0.5 h; Microwave irradiation; Sealed tube General procedure: General procedure for the 1,4-dioxane mediated transamidation of amides with an amine under microwave. An oven-dried 10-mL microwave reaction vial containing a Teflon-coated magnetic stir bar was charged with carboxamide (1 mmol), amine (1 mmol), and dioxane (2 ml) (undried). The vessel was sealed with a plastic microwave septum, stirred at room temperature for 5 min and then placed into the MW cavity for a specified temperature and time. After the completion of reaction (TLC), the mixture was cooled to room temperature; distilled water (10 mL) was added to it and then extracted with ethyl acetate (3 10 mL). The combined organic phase was dried over anhydrous Na2SO4, filtered and then concentrated using a rotary vacuum evaporator. The crude product was purified by column chromatography using a mixture of ethyl acetate/n-hexane (10–20percent of ethyl acetate depending upon the product) as an eluent
81% With [Ru-NHC] In toluene at 110℃; for 8 h; Inert atmosphere; Schlenk technique; Sealed tube General procedure: A mixture of amide (5mmol), amine (5mmol), [Ru–NHC] complex (0.5molpercent) and toluene (5mL) was stirred in a sealed tube under nitrogen atmosphere at 110°C for 8h. After cooling down to room temperature, the reaction solvent was removed under vacuum. After removal of the solvent, the crude reaction mixture was dissolved in CH2Cl2 and purified by column chromatography on silica gel (200–400mesh) eluting with heptane:ethanol [25:1] to give corresponding amides as a white solid. The yields are mentioned in Tables 3–5. The product was confirmed by NMR spectroscopy. Reported isolated yields are an average of two runs.
Reference: [1] Chemical Communications (Cambridge, United Kingdom), 2012, vol. 48, # 95, p. 11626 - 11628,3
[2] Chemical Communications, 2012, vol. 48, # 95, p. 11626 - 11628
[3] Tetrahedron Letters, 2013, vol. 54, # 20, p. 2553 - 2555
[4] RSC Advances, 2016, vol. 6, # 58, p. 52724 - 52728
[5] Journal of Molecular Catalysis A: Chemical, 2015, vol. 403, p. 15 - 26
  • 2
  • [ 201230-82-2 ]
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Reference: [1] Chemical Communications (Cambridge, United Kingdom), 2012, vol. 48, # 92, p. 11310 - 11312,3
[2] Green Chemistry, 2017, vol. 19, # 1, p. 88 - 92
[3] Patent: CN105272868, 2016, A, . Location in patent: Paragraph 0034; 0035
[4] Patent: CN106278923, 2017, A, . Location in patent: Paragraph 0027; 0028
  • 3
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  • [ 17061-63-1 ]
Reference: [1] Synlett, 2004, # 14, p. 2570 - 2572
[2] Angewandte Chemie - International Edition, 2013, vol. 52, # 48, p. 12714 - 12718[3] Angew. Chem., 2013, vol. 125, # 48, p. 12946 - 12950,5
[4] Bioorganic and Medicinal Chemistry, 2018, vol. 26, # 9, p. 2437 - 2451
  • 4
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  • [ 17061-63-1 ]
Reference: [1] Advanced Synthesis and Catalysis, 2015, vol. 357, # 4, p. 834 - 840
[2] Organic Letters, 2013, vol. 15, # 7, p. 1776 - 1779
[3] Chemistry - A European Journal, 2013, vol. 19, # 36, p. 11832 - 11836
[4] Angewandte Chemie - International Edition, 2017, vol. 56, # 15, p. 4229 - 4233[5] Angew. Chem., 2017, vol. 129, # 15, p. 4293 - 4297,5
[6] Patent: WO2017/137984, 2017, A1, . Location in patent: Paragraph 00406; 00407
  • 5
  • [ 124-38-9 ]
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  • [ 17061-63-1 ]
Reference: [1] Chemical Communications, 2018, vol. 54, # 81, p. 11395 - 11398
[2] ACS Catalysis, 2017, vol. 7, # 4, p. 2500 - 2504
[3] Angewandte Chemie - International Edition, 2015, vol. 54, # 41, p. 12116 - 12120[4] Angew. Chem., 2015, vol. 127, p. 12284 - 12288,5
  • 6
  • [ 50-00-0 ]
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Reference: [1] Angewandte Chemie - International Edition, 2015, vol. 54, # 26, p. 7564 - 7567[2] Angew. Chem., 2015, vol. 127, p. 7674 - 7677
[3] Green Chemistry, 2016, vol. 18, # 3, p. 808 - 816
[4] Tetrahedron Letters, 2010, vol. 51, # 44, p. 5804 - 5806
  • 7
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  • [ 109-94-4 ]
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YieldReaction ConditionsOperation in experiment
88% at 150℃; for 12 h; To a stirred solution of 4-methoxybenzylamine (3.93 mL, 30 mmol) was added ethyl formate (2.45 mL, 24.2 mmol). The reaction mixture was stirred and heated at 150 °C for 12 h. The reaction mixture was cooled to room temperature and the precipitate was collected by filtration, dried and washed with ethyl ether to give 5b as a white solid (4.4 g). Yield: 88percent; mp 79-80 °C; IR (KBr) cm-1: 3286 (s, N-H); 3012 (m, C-H); 2943-2834 (m, C-H); 1645 (s, CO). 1H NMR (400 MHz, DMSO-d6) δ: 3.73 (s, 3H, OCH3); 4.22 (d, 2H, CH2-NH); 6.89 (d, 2H, H3 + H5, J3-2 = J5-6 = 8.5 Hz); 7.19 (d, 2H, H2 + H6); 8.1 (s, 1H, H-CO); 8.43 (s, 1H, CH2-NH); Elemental Analysis for C9H11NO2 Calcd/Found (percent): C: 65.45/65.07; H: 6.66/6.37; N: 8.48/8.29.
Reference: [1] Chemical Communications, 2017, vol. 53, # 15, p. 2382 - 2385
[2] New Journal of Chemistry, 2017, vol. 41, # 12, p. 5075 - 5081
[3] Tetrahedron Letters, 2009, vol. 50, # 37, p. 5210 - 5214
[4] European Journal of Medicinal Chemistry, 2012, vol. 47, # 1, p. 283 - 298
[5] Journal of Medicinal Chemistry, 1983, vol. 26, # 3, p. 309 - 312
[6] Tetrahedron Letters, 1985, vol. 26, # 48, p. 5863 - 5866
[7] Pharmazie, 2015, vol. 70, # 8, p. 507 - 510
[8] Journal of Medicinal Chemistry, 2017, vol. 60, # 16, p. 7199 - 7205
[9] Chemistry - A European Journal, 2017, vol. 23, # 52, p. 12758 - 12762
  • 8
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YieldReaction ConditionsOperation in experiment
40% at 50℃; for 1.5 h; General procedure: Typical procedure for formylation of amines After the hydrosilylation of CO2 with 1a was completed, piperidine (4a, 1 mmol) was added to the reaction solution of dimethylphenylsilyl formate (2a) and the reaction mixture was vigorously stirred at 50 °C for 1 h. The conversion and the yield of the products were determined by GC and 1H NMR analyses. The formamides were confirmed by the comparison of their GC retention times and GC mass spectra. A typical procedure for isolation of formamides is as follows: After the hydrosilylation of CO2 with 1a was completed, acetonitrile was removed by evaporation, followed by addition of n-hexane (2 mL). Catalysts (Rh2(OAc)4 and K2CO3) were insoluble in n-hexane and separated by filtration. Then, 4e (1 mmol) was added to the filtrate, and the mixture was vigorously stirred at 50 °C for 1 h. n-Hexane was evaporated, and white precipitates obtained were washed with n-hexane and extracted with toluene.
Evaporation of toluene afforded analytically pure N-benzylformamide (5e, 35percent yield).
Reference: [1] Journal of Molecular Catalysis A: Chemical, 2013, vol. 366, p. 347 - 352
  • 9
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  • [ 68-12-2 ]
  • [ 17061-63-1 ]
Reference: [1] RSC Advances, 2016, vol. 6, # 58, p. 52724 - 52728
[2] Journal of Organic Chemistry, 2013, vol. 78, # 9, p. 4512 - 4523
[3] Chemical Communications, 2014, vol. 50, # 19, p. 2438 - 2441
  • 10
  • [ 201230-82-2 ]
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  • [ 17061-63-1 ]
  • [ 93731-94-3 ]
Reference: [1] Chemical Communications, 2009, # 8, p. 947 - 949
  • 11
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  • [ 68-12-2 ]
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  • [ 124-40-3 ]
Reference: [1] Patent: CN104447379, 2017, B, . Location in patent: Paragraph 0041; 0042; 0052
  • 12
  • [ 124-38-9 ]
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  • [ 17061-63-1 ]
  • [ 1262617-99-1 ]
Reference: [1] Green Chemistry, 2016, vol. 18, # 14, p. 3956 - 3961
  • 13
  • [ 590-28-3 ]
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  • [ 54582-35-3 ]
Reference: [1] Synlett, 2010, # 16, p. 2439 - 2442
[2] Organic Letters, 2014, vol. 16, # 14, p. 3844 - 3846
[3] Asian Journal of Chemistry, 2011, vol. 23, # 9, p. 4114 - 4116
[4] Green Chemistry, 2012, vol. 14, # 2, p. 296 - 299
[5] Monatshefte fur Chemie, 2013, vol. 144, # 3, p. 399 - 403
  • 14
  • [ 556-89-8 ]
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Reference: [1] Pharmaceutical Chemistry Journal, 1991, vol. 25, # 5, p. 296 - 301[2] Khimiko-Farmatsevticheskii Zhurnal, 1991, vol. 25, # 5, p. 31 - 35
  • 15
  • [ 61642-86-2 ]
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Reference: [1] Organic and Biomolecular Chemistry, 2005, vol. 3, # 7, p. 1240 - 1244
  • 16
  • [ 95062-72-9 ]
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Reference: [1] Organic and Biomolecular Chemistry, 2005, vol. 3, # 7, p. 1240 - 1244
  • 17
  • [ 95062-74-1 ]
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Reference: [1] Organic and Biomolecular Chemistry, 2005, vol. 3, # 7, p. 1240 - 1244
  • 18
  • [ 95062-75-2 ]
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Reference: [1] Organic and Biomolecular Chemistry, 2005, vol. 3, # 7, p. 1240 - 1244
  • 19
  • [ 105-36-2 ]
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  • [ 20839-78-5 ]
Reference: [1] Journal of Medicinal and Pharmaceutical Chemistry, 1962, vol. 5, p. 861 - 865
  • 20
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  • [ 696-60-6 ]
Reference: [1] Bulletin de la Societe Chimique de France, 1911, vol. <4> 9, p. 823
[2] Journal of the American Chemical Society, 1964, vol. 86, p. 3075 - 3084
[3] Molecules, 2013, vol. 18, # 6, p. 6990 - 7003
  • 21
  • [ 2393-23-9 ]
  • [ 75-05-8 ]
  • [ 22993-76-6 ]
Reference: [1] Organic and Biomolecular Chemistry, 2012, vol. 10, # 2, p. 293 - 304
  • 22
  • [ 15481-55-7 ]
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  • [ 22993-76-6 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1989, p. 1881 - 1886
[2] Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1989, p. 1881 - 1886
  • 23
  • [ 515-46-8 ]
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Reference: [1] Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1989, p. 1881 - 1886
  • 24
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Reference: [1] Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1989, p. 1881 - 1886
  • 25
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Reference: [1] Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1989, p. 1881 - 1886
  • 26
  • [ 123-11-5 ]
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YieldReaction ConditionsOperation in experiment
91%
Stage #1: for 4 h; Reflux
Stage #2: at 0℃; for 18 h;
Stage #3: With hydrogenchloride In 1,4-dioxane; diethyl ether at 0℃; for 2 h;
Pre aration of Intermediate 1-16.A mixture of p-anisaldehyde (1.8 mL, 14.8 mmol) and 4-methoxybenzylamine (1.9 mL, 14.8 mmol) in EtOH (50 mL) was refluxed for 4 h. On cooling to 0 °C, NaBH4 (562 mg, 14.8 mmol) was added and the reaction mixture was stirred for 18 h at rt. On cooling to 0 °C, water (50 mL) and DCM (250 mL) were added. The organic phase was separated and the aqueous layer was extracted with DCM (2 x 250 mL). The combined organic layers were dried (MgS04), filtered and evaporated. The residue was dissolved in Et20 (100 mL) and the mixture was cooled to 0 °C. 4N HCI in dioxane (-10 mL) was added dropwise and the mixture was stirred for 2 h at 0 °C. The resulting white solid was filtered off, washed with Et20/EtOAc to give the desired product (3.99 g, 91 percent) as a white solid.1H NMR (300 MHz, DMSO) δ 9.40 (s, 2H), 7.45 (d, J = 8.7 Hz, 4H), 6.98 (d, J = 8.7 Hz, 4H), 4.03 (s, 4H), 3.77 (s, 6H).
91% With sodium tetrahydroborate In ethanol at 0 - 20℃; for 22 h; Reflux Preparation of Intermediate I-16 [0278] [0279] A mixture of p-anisaldehyde (1.8 mL, 14.8 mmol) and 4-methoxybenzylamine (1.9 mL, 14.8 mmol) in EtOH (50 mL) was refluxed for 4 h. On cooling to 0° C., NaBH4 (562 mg, 14.8 mmol) was added and the reaction mixture was stirred for 18 h at rt. On cooling to 0° C., water (50 mL) and DCM (250 mL) were added. The organic phase was separated and the aqueous layer was extracted with DCM (2×250 mL). The combined organic layers were dried (MgSO4), filtered and evaporated. The residue was dissolved in Et2O (100 mL) and the mixture was cooled to 0° C. 4N HCl in dioxane (−10 mL) was added dropwise and the mixture was stirred for 2 h at 0° C. The resulting white solid was filtered off, washed with Et2O/EtOAc to give the desired product (3.99 g, 91percent) as a white solid. [0280] 1H NMR (300 MHz, DMSO) δ 9.40 (s, 2H), 7.45 (d, J=8.7 Hz, 4H), 6.98 (d, J=8.7 Hz, 4H), 4.03 (s, 4H), 3.77 (s, 6H).
Reference: [1] Patent: WO2011/141713, 2011, A1, . Location in patent: Page/Page column 88
[2] Patent: US2013/131057, 2013, A1, . Location in patent: Paragraph 0278; 0279; 0280
  • 27
  • [ 105-36-2 ]
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  • [ 60857-16-1 ]
YieldReaction ConditionsOperation in experiment
42% With triethylamine In dichloromethane at 0 - 20℃; for 3 h; General procedure: Ethyl bromoacetate (374 mg, 2.2 mmol, 1.0 equiv)was added dropwise to a solution of p-methoxybenzylamine(307 mg, 2.2 mmol) and triethylamine (227 mg, 2.2 mmol, 1.0 equiv)in dichloromethane (10 mL) at 0 °C. The mixture was stirred at room temperature for 3.0h and quenched with water. The organic layer was separated, washed with water,and dried over anhydrous sodium sulfate. The organic solvent was evapolated in vacuo and the residue was purified bysilica gel chromatography eluted with n-hexane/ethylacetate. The product was recovered in 42 percent yield. 1H-NMR (500 MHz, CDCl3)d 1.21(t, 3H, J=7.1 Hz, -CH2CH3), 1.87 (s, 1H, -NH-), 3.33 (s, 2H, -CH2-), 3.68 (s, 2H, -CH2-), 3.72 (s, 3H, CH3O-), 4.13 (q, 2H, J=7.1 Hz, -CH2CH3), 6.80 (d, 2H, J=8.3 Hz, Ar-H), 7.19 (d,2H, J=8.3 Hz, Ar-H).
Reference: [1] Beilstein Journal of Organic Chemistry, 2018, vol. 14, p. 2482 - 2487
[2] Journal of the American Chemical Society, 1993, vol. 115, # 2, p. 536 - 547
[3] Monatshefte fur Chemie, 2004, vol. 135, # 8, p. 951 - 958
[4] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 16, p. 3226 - 3229
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Reference: [1] European Journal of Organic Chemistry, 2016, vol. 2016, # 22, p. 3824 - 3835
[2] Synthesis, 2005, # 19, p. 3412 - 3422
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Reference: [1] Organic Letters, 2018, vol. 20, # 9, p. 2595 - 2598
  • 30
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  • [ 41965-95-1 ]
YieldReaction ConditionsOperation in experiment
118 g at 20 - 25℃; for 6 h; Acetic acid (100 ml) was added to 4-methoxybenzylamine (100 g) at 25-30°C. Again acetic acid (750 ml) was added to the reaction mixture. Sulfiiryl chloride (87.84 ml) was added slowly to the reaction mixture at 20-25°C and stirred for 6 hours at the same temperature. Methyl tertiary butyl ether (850 ml) was added to the reaction mixture at 25-30°C. The reaction mixture was cooled to 15-20°C and stirred for 1 hour at the same temperature. Filtered the precipitated solid, washed with methyl tertiary butyl ether and then dried to get title compound. Yield: 1 18 g
22.8 g With sulfuryl dichloride In acetic acid at 20 - 25℃; for 27 h; To a four-neck 500 mL flask provided with a thermometer, Dimroth condenser and stirrer, 20 g (0.146 mol) of MBA was added. In a state in which the reaction liquid was cooled to 20° C. or lower, 250 g of acetic acid was added thereto and stirring was started. Then, 29.3 g of sulfuryl chloride (theoretical molar ratio to MBA: 1.5) was dropped into the four-neck flask for 1 hour while maintaining the reaction liquid temperature at 25° C. or lower. After the dropping, the inner temperature was maintained at 20-25° C. and in this state the reaction was carried out for 26 hours and finished when the remaining amount of MBA-based substances was confirmed to be 0.5percent or less by the HPLC analysis. Then, 150 g of toluene was added to the reaction liquid, which was cooled to 5° C. and then held for 1 hour. The reaction liquid after being held was filtrated to obtain a wet cake, which was washed with 20 g of toluene cooled to 5° C. The wet crystals thus obtained were dried using a vacuum drier and a dried product of 22.8 g of white crystals was obtained as a CMBA-HCl-containing composition. The yield was 75.5 mol percent and the HPLC purity was 98.9percent. In the CMBA-HCl-containing composition, 0.50percent of MBA-based substances remained and 0.23percent of dichloro products were generated as by-products.
Reference: [1] Synthesis, 2003, # 3, p. 403 - 407
[2] Synthetic Communications, 2000, vol. 30, # 14, p. 2609 - 2612
[3] Tetrahedron, 2003, vol. 59, # 35, p. 6991 - 7009
[4] Organic letters, 2001, vol. 3, # 25, p. 4063 - 4066
[5] Patent: WO2015/1567, 2015, A1, . Location in patent: Page/Page column 21
[6] Patent: US2017/44091, 2017, A1, . Location in patent: Paragraph 0055
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Reference: [1] Journal of molecular catalysis, 1989, vol. 50, # 3, p. 333 - 341
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YieldReaction ConditionsOperation in experiment
88% With triethylamine In tetrahydrofuran Example 14
4-(4-Methoxybenzylamino)-2-methanesulfanyl-pyrimidine-5-carboxylic acid ethyl ester
To a room temperature solution of 4-chloro-2-methanesulfanyl-pyrimidine-5-carboxylic acid ethyl ester (6.05 g, 26.07 mmol) in 60 mL of tetrahydrofuran was added triethylamine (11 mL, 79.5 mmol) followed by 3.6 mL (27.6 mmol) of 4-methoxybenzylamine.
The solution was stirred for 1 hour then filtered.
The white solid was washed with ethyl acetate, and the filtrate was concentrated in vacuo.
The residue was partitioned between chloroform and saturated aqueous sodium bicarbonate.
The organic layer was dried over magnesium sulfate, filtered, and concentrated to provide 7.60 g (88percent) of 4-(4-methoxybenzylamino)-2-methanesulfanyl-pyrimidine-5-carboxylic acid ethyl ester, mp 72-74° C.
Analysis calculated for C16H19N3O3S: C, 57.64; H, 5.74; N, 12.60.
Found: C, 57.65; H, 5.80; N, 12.57.
5.20 g With triethylamine In N,N-dimethyl-formamide at 0℃; for 1 h; Ethyl 4—chloro—2—(methylthio)pyrimidine—5—carboxylate (3g, 12.9 mmol) was dissolved in DMF (10 mL) and cooled to0 °C. A solution of triethylamine (2 mL, 14.4 mmol) and(4-methoxyphenyl)methanamine (1.85 mL, 14.2 mmol) in DMF(10 mL) was added slowly. The mixture was stirred for 1 hthen poured into ice / 10percent citric acid solution. The mixture was extracted with ethyl acetate (x 2) . The combined organic layers were washed with citric acid solution then brine, then dried with Mg504, filtered andconcentrated in vacuo. The residue was azeotroped with cyclohexane / DCM to give a syrup which crystallised to yield 5.20 g of a white solid on standing. This was dissolved in ethanol (25 mL) and 2 M NaOH (25 mL) and the solution was stirred overnight. The mixture wasconcentrated in vacuo, then acidified (2 M HC1) . The precipitated solid was collected by filtration, then dried in vacuo to give the title compound as a white solid (4.1 g, quantitative) . ‘H NMR (500 MHz, DMSO—d6) : 5 13.30 (br s, 1H), 8.85 (t, 1H), 8.53 (s, 1H), 7.29 (t,2H), 6.90 (t, 2H), 4.63 (d, 2H), 3.74 (s, 3H), 2.45 (s,3H) . LCMS (Method A) : = 1.05 mm, m/z = 306 [M+H].
Reference: [1] Patent: US2004/224958, 2004, A1,
[2] Patent: US6498163, 2002, B1,
[3] Patent: WO2015/92431, 2015, A1, . Location in patent: Page/Page column 94; 95
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[ 2393-23-9 ]

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3,5-Dimethoxybenzyl amine

Similarity: 0.95

Chemical Structure| 6850-60-8

[ 6850-60-8 ]

(4-Ethoxyphenyl)methanamine

Similarity: 0.95

Chemical Structure| 6850-57-3

[ 6850-57-3 ]

(2-Methoxyphenyl)methanamine

Similarity: 0.95

Chemical Structure| 702-24-9

[ 702-24-9 ]

4-Methoxy-N-methylbenzylamine

Similarity: 0.93

Chemical Structure| 6298-96-0

[ 6298-96-0 ]

1-(4-Methoxyphenyl)ethylamine

Similarity: 0.93

Ethers

Chemical Structure| 34967-24-3

[ 34967-24-3 ]

3,5-Dimethoxybenzyl amine

Similarity: 0.95

Chemical Structure| 6850-60-8

[ 6850-60-8 ]

(4-Ethoxyphenyl)methanamine

Similarity: 0.95

Chemical Structure| 6850-57-3

[ 6850-57-3 ]

(2-Methoxyphenyl)methanamine

Similarity: 0.95

Chemical Structure| 702-24-9

[ 702-24-9 ]

4-Methoxy-N-methylbenzylamine

Similarity: 0.93

Chemical Structure| 6298-96-0

[ 6298-96-0 ]

1-(4-Methoxyphenyl)ethylamine

Similarity: 0.93

Amines

Chemical Structure| 34967-24-3

[ 34967-24-3 ]

3,5-Dimethoxybenzyl amine

Similarity: 0.95

Chemical Structure| 6850-60-8

[ 6850-60-8 ]

(4-Ethoxyphenyl)methanamine

Similarity: 0.95

Chemical Structure| 6850-57-3

[ 6850-57-3 ]

(2-Methoxyphenyl)methanamine

Similarity: 0.95

Chemical Structure| 702-24-9

[ 702-24-9 ]

4-Methoxy-N-methylbenzylamine

Similarity: 0.93

Chemical Structure| 6298-96-0

[ 6298-96-0 ]

1-(4-Methoxyphenyl)ethylamine

Similarity: 0.93