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[ CAS No. 156866-52-3 ] {[proInfo.proName]}

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Chemical Structure| 156866-52-3
Chemical Structure| 156866-52-3
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Product Details of [ 156866-52-3 ]

CAS No. :156866-52-3 MDL No. :MFCD06659090
Formula : C13H17NO3 Boiling Point : -
Linear Structure Formula :- InChI Key :HRJJBEIFHFVBRT-UHFFFAOYSA-N
M.W : 235.28 Pubchem ID :2794832
Synonyms :

Calculated chemistry of [ 156866-52-3 ]

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.38
Num. rotatable bonds : 6
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 65.34
TPSA : 55.4 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) : -6.39 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.56
Log Po/w (XLOGP3) : 1.89
Log Po/w (WLOGP) : 2.37
Log Po/w (MLOGP) : 1.72
Log Po/w (SILICOS-IT) : 2.27
Consensus Log Po/w : 2.16

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.35
Solubility : 1.04 mg/ml ; 0.00442 mol/l
Class : Soluble
Log S (Ali) : -2.68
Solubility : 0.496 mg/ml ; 0.00211 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.71
Solubility : 0.046 mg/ml ; 0.000195 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.72

Safety of [ 156866-52-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 156866-52-3 ]

* 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 [ 156866-52-3 ]
  • Downstream synthetic route of [ 156866-52-3 ]

[ 156866-52-3 ] Synthesis Path-Upstream   1~21

  • 1
  • [ 123986-64-1 ]
  • [ 156866-52-3 ]
YieldReaction ConditionsOperation in experiment
100% With manganese(IV) oxide In dichloromethane for 3 h; 4- Butoxycarbonylaminomethyl-benzaldehyde, 8.8Alcohol 7 (2.20 g, 9.2 mmol) was dissolved in DCM (100 ml) and Mn02 (8.18 g, 92 mmol, 10 eq) was added and the resulting suspension was stirred for 3 hours. The reaction mixture was then filtered through celite and evaporated to yield Error. Reference source not found, as a white solid (2.18 g, 9.2 mmol, 100percent). Rr = 0.62 (DCM / Ethyl acetate, 9 : 1); vmax = cm"1; NMR (300 MHz, CDC13) δ = 10.0 (CHO), 7.85 (d, 3J(H,H) = 8.1 Hz, 2H, ArCH a to CHO), 7.45 (d, 3J(H,H) = 8.1 Hz, 2H, ArCH a to CH2NHBoc), 4.99 (bs, 1 H, NHBoc), 4.40 (d, 3J(H,H) - 5.7 Hz, 2H, CH2NHB0C), 1.47 (s, 9H, C(C3/4)3); 13C NMR (75 MHz, CDCI3) 6 =191.9 (CHO), 155.9 (CO), 145.9 (ArCCH2NHBoc), 135.5 (ArCCHO), 130.1 (ArCH a to CHO), 127.6 (ArCH a to CH2NHBoc), 85.1 (C(CH3)3), 44.3 (CH2NHBoc), 28.3 (C(CH3)3); HRMS (ESI+): m/z calculated for CnHi9N03Na [M + Na]+ : 258.1 101, found 258.1094. NMR data consistent with published data.6
100% With Dess-Martin periodane In dichloromethane at -78 - 20℃; for 3 h; (4-Hydroxymethyl~benzyl)-carbamic acid tert-butyl ester (480 mg, 0.71 mmol) was dissolved in DCM (3 ml_) and cooled to -78 0C (dry ice / acetone). Dess-Martin periodinane (331 mg, 0.78 mmol) was added to the reaction which was allowed to warm to r.t and stir for 3 h. A 1 :1 solution of saturated sodium bicarbonate and sodium sulfite (20 ml_) was added and the reaction mixture stirred vigorously for 15 min. The organic layer was isolated, washed with saturated sodium bicarbonate (10 ml_), dried (Na2SO4) and evaporated to dryness to afford the desired compound (480 mg, 100percent). m/z 258 [M++Na]+
97% With manganese(IV) oxide In dichloromethane at 20℃; for 3.5 h; Step D) FORTNCTTION of (N-Boc-4-aminomethyl)benzaldehyde; To a suspension of MiO2 (600 g) in dry DCM (3 L) was added a solution of N-BOC- (4- hydroxymethyl) benzylamine (90 g) in 500 mL of DCM at rt over 30 min and allowed to stir 3 H. THE reaction mixture was filtered and filtrate concentrated under vacuum to give the title compound (88 G, 97percent).
87% With manganese(IV) oxide In chloroform at 20℃; Boc2O was added in one portion at r.t. to a solution of (4-aminomethyl-phenyl)-methanol Compound 3a (21.2 mmol, 2.9 g) in CH2C12 (100 mL). The resulting solution wasstirred for 48h, then washed with a 10percent citric acid solution (50 mL) followed by brine. Theorganic layer was separated, then dried over Na2SC>4 and filtered. The solvent was removed invacua to obtain (4-hydroxymethyl-benzyl)-carbamic acid tert-butyl ester Compound 3b as awhite solid (5.2 g, 99percent yield), which was used in the next step without further purification.MnO2 (9.6 g) was added to a solution of Compound 3b (21.2 mmol, 5.2 g) inchloroform (60 mL), forming a black suspension that was stirred at r.t. overnight then filteredthrough a pad of celite. The solvent was evaporated in vacua to obtain (4-forinyl-benzyl)-carbamic acid tert-butyl ester Compound 3c as a white solid (4.3 g, 87percent yield), which was usedin the next step without purification.; NaB(OAc)3H (2.8 mmol, 0.58 g) was added to a mixture of Compound 3c (2.6 mmol,0.6 g) and tetrahydro-pyran-4-ylamine Compound 3d (2.6 mmol, 0.26 g) in CH2C12 (25 mL)and the resulting suspension was stirred at r.t. An aliquot of the reaction mixture showed theformation of product (MS m/e 321; 100percent). An aqueous solution of formaldehyde (37percentsolution, 8.6 mmol, 0.7 mL) was added to the reaction mixture, followed by NaB(OAc)3H (2.8mmol, 0.58 g) added in one portion under ice cooling. The reaction mixture was stirred at r.t.for about 2h, then made basic with a 2N NaOH solution and extracted with CH2C12. Theorganic layer was washed with brine, then separated and dried over Na2SO4. The drying agentwas filtered and the solvent was removed in vacua to yield (4-[methyl-(tetrahydro-pyran-4-yl)-amino]-methyl}-benzyl)-carbamic acid tert-butyl ester Compound 3e as a pale yellow oil.MS m/e 235 (M+H, 100percent). The product was purified by column chromatography (4:1CH2Cl2:MeOH) to yield a colorless oil (0.52 g, 59percent yield).; Compound 3e was dissolved in CH2Cl2, then HC1 in dioxane was added and themixture was stirred at r.t. for 12 hrs. The solvent was removed and the gummy residue wasmade basic with 2N NaOH and extracted with EtOAc. The organic layer was washed withbrine, then separated and dried over Na2SO4. The drying agent was filtered and the solvent wasremoved in vacua to obtain (4-aminomethyl-benzyl)-methyl-(tetrahydro-pyran-4-yl)-amineCompound 3f as a pale yellow oil (0.3 g, 83percent yield). MS m/e 235 (M+H, 100percent).; A solution of 3-(3-trifluoromethyl-phenyl)-acryloyl chloride Compound 3g (0.3 mrnol,0.07 g) in THF (2 mL) was added dropwise to a solution of Compound 3f (0.2 mmol, 0.05 g)and Et3N (0.8 mmol, 0.14 mL) in THF (10 mL) at 0°C. The resulting suspension was allowedto warm to r.t. overnight. The reaction mixture was made basic with a 2N NaOH solution andextracted with EtOAc (25 mL). The aqueous layer was extracted with EtOAc (2X10 mL) andthe organic layers were washed with brine, then dried over Na2SO4 and filtered. The solventwas removed in vacua to yield a yellow solid (with methane) as the product. The crude productwas purified by preparative TLC (9:1 EtOAc-.MeOH, Rf = 0.2) to yield N-(4-[methyl-(tetrahydro-pyran-4-yi)-amino]-methyl}-benzyi)-3-(3-trifluoromethyl-phenyl)-acrylamideCompound 3h (0.06 g, 49percent yield). MS m/e 433 (M+H, 100percent).; Mel (0.08 mL, 1.28 mmol) was added dropwise to a solution of Compound 3h (0.07mmol, 0.03 g) in a mixture of acetone:acetonitrile (2 mL). The resulting solution was stirred atr.t. for 24h to provide a residue. The residue was washed with ether (2x 1 mL) and dried undera high vacuum to provide Compound 64 (0.04 g, 93percent yield) as an iodide salt. MS m/e 584(M+H, 100percent).
87% With manganese(IV) oxide In chloroform at 20℃; MnO2 (9.6 g) was added to a solution of Compound 3b (21.2 mmol, 5.2 g) in chloroform (60 mL), forming a black suspension that was stirred at r.t. overnight then filtered through a pad of celite. The solvent was evaporated in vacuo to obtain (4-formyl-benzyl)-carbamic acid tert-butyl ester Compound 3c as a white solid (4.3 g, 87percent yield), which was used in the next step without purification.
80% With manganese(IV) oxide In dichloromethane at 20℃; for 16 h; Stage 3 - Alcohol oxidation; Stage 2 product (5.87g, 24.73mmol) was stirred in DCM (20OmL) with MnO2 (16.71g, 192.20mmol) for 16h at RT. The reaction was then filtered through celite and the solvent removed in vacuo to give the product as a yellow oil which was used in the next step without further purification (4.63g, 80percent). m/z = 258 [M+Na]+.
80% With manganese(IV) oxide In dichloromethane at 20℃; for 16 h; Stage 3 - Preparation of te/t-butyl (4-formylbenzyl)carbamate; Stage 2 product (5.87g, 24.73mmol) was stirred in DCM (20OmL) with MnO2 (16.71g, 192.2mmol) for 16h at RT. The reaction was then filtered through celite and the solvent removed in vacuo to give the product as a yellow oil (4.63g, 80percent). m/z = 258 [M+Na]\\
70% With sodium acetate; pyridinium chlorochromate In dichloromethane at 25℃; for 1 h; To a solution of (4-Hydroxymethyl-benzyl)-carbamic acid tert-butyl ester (4.5 g, 18.2 mmol) in dichloromethane (45 ml) were added PCC (4.07 g, 18.2 mmol), sodium acetate (0.26 g, 3.2 mmol) and the mixture was stirred at 25 °C over a period of 60 min. The resulting mixture was diluted with ethyl acetate (200 mL) and it was stirred for 30 min. Then the reaction mixture filtered through Buchner funnel, filtrate was washed with water (2X50 mL) and dried over sodium sulphate. The solvent was evaporated under reduced pressure to obtain (4-Formyl-benzyl)-carbamic acid tert-butyl ester as a pale yellow solid(3.0 g, 70 percent).
70% With sodium acetate; pyridinium chlorochromate In dichloromethane at 25℃; for 1 h; To a solution of (4-Hydroxymethyl-benzyl)-carbamic acid tert-butyl ester (4.5 g, 18.2 mmol) in dichloromethane (45 ml) were added PCC (4.07 g, 18 2 mmol), sodium acetate (0.26 g, 3.2 mmol) and the mixture was stirred at 25° C. over a period of 60 min.
The resulting mixture was diluted with ethyl acetate (200 mL) and it was stirred for 30 min.
Then the reaction mixture filtered through Buchner funnel, filtrate was washed with water (2*50 mL) and dried over sodium sulphate.
The solvent was evaporated under reduced pressure to obtain (4-Formyl-benzyl)-carbamic acid tert-butyl ester as a pale yellow solid (3.0 g, 70percent).

Reference: [1] Patent: WO2012/95628, 2012, A1, . Location in patent: Page/Page column 18-19
[2] Patent: WO2006/117549, 2006, A1, . Location in patent: Page/Page column 148
[3] Patent: WO2005/12280, 2005, A1, . Location in patent: Page/Page column 53
[4] Patent: WO2006/12135, 2006, A1, . Location in patent: Page/Page column 49-51
[5] Patent: US2006/293379, 2006, A1, . Location in patent: Page/Page column 63
[6] Patent: WO2008/53131, 2008, A1, . Location in patent: Page/Page column 58; 60
[7] Patent: WO2008/40934, 2008, A1, . Location in patent: Page/Page column 58-59
[8] Journal of Medicinal Chemistry, 2004, vol. 47, # 10, p. 2411 - 2413
[9] Tetrahedron Letters, 2008, vol. 49, # 42, p. 6033 - 6035
[10] Organic and Biomolecular Chemistry, 2008, vol. 6, # 23, p. 4356 - 4373
[11] Patent: WO2011/21209, 2011, A1, . Location in patent: Page/Page column 49; 50; 51
[12] Patent: US2012/101099, 2012, A1, . Location in patent: Page/Page column 18; 19
[13] Tetrahedron, 2002, vol. 58, # 4, p. 741 - 755
[14] Patent: EP1550657, 2005, A1, . Location in patent: Page/Page column 92
[15] Patent: EP1612204, 2006, A1, . Location in patent: Page/Page column 41
[16] Patent: EP1724263, 2006, A1, . Location in patent: Page/Page column 48
[17] Journal of Medicinal Chemistry, 2013, vol. 56, # 12, p. 5198 - 5202
[18] Journal of Medicinal Chemistry, 2018, vol. 61, # 3, p. 946 - 979
[19] Patent: EP2042503, 2009, A1, . Location in patent: Page/Page column 60
  • 2
  • [ 314732-37-1 ]
  • [ 156866-52-3 ]
YieldReaction ConditionsOperation in experiment
85% With lithium aluminium tetrahydride In tetrahydrofuran at -78 - 4℃; for 4.41667 h; Cooling with acetone-dry ice tert- ut l 4-formylbenzyIcarbamate (Boc-Amb-H) Boc-Amb-N(OMe)Me (2.45 g, 8.33 mmol, 1 eq) was dissolved in THF (83 mL) and cooled to -78 °C in a dry ice/acetone bath. Lithium aluminum hydride (0.41 g, 10.83 mmol, 1.3 eq) was added in 2 portions over 5 minutes. After 50 minutes, the suspension was warmed to 4 °C in an ice bath. After 3.5 hours, the reaction was deemed complete by TLC (mini workup in 10percent potassium bisulfate and EtOAc, 50percent EtOAc hexanes) and the reaction was quenched by the slow addition of 10percent potassium bisulfate at 4 °C. The mixture was warmed to room temperature, and stirred for 30 minutes. Most of the THF was removed under reduced pressure and mixture was diluted with water and extracted thrice with EtOAc. The combined organic layer was washed once with brine, dried over sodium sulfate, filtered and condensed. Purification by column chromatography (40 to 50percent EtOAc/hexanes) gave Boc-Amb-H as a white solid (1.66 g, 7.1 mmol, 85percent). 1H NMR (500 MHz, CDC13) δ 9.96 (s, 1H), 7.81 (d, j = 8.2 Hz, 2H), 7.41 (d, J= 8.0 Hz, 2H), 5.12 (s, 1H), 4.37 (d, J= 5.6 Hz, 2H), 1.44 (s, 9H). 13C NMR (126 MHz, CDC13) 5 191.94, 156.03, 146.30, 135.62, 130.14, 127.78, 79.92, 44.44, 28.46. MS (ESI) 235.9 (M+H), 180.2 (M-tBu).
85% With lithium aluminium tetrahydride In tetrahydrofuran at -78 - 4℃; for 4.41 h; Boc-Amb-N(OMe)Me (2.45 g, 8.33 mmol, 1 eq) was dissolved in THF (83 mL) and cooled to −78° C. in a dry ice/acetone bath. Lithium aluminum hydride (0.41 g, 10.83 mmol, 1.3 eq) was added in 2 portions over 5 minutes. After 50 minutes, the suspension was warmed to 4° C. in an ice bath. After 3.5 hours, the reaction was deemed complete by TLC (mini workup in 10percent potassium bisulfate and EtOAc, 50percent EtOAc/hexanes) and the reaction was quenched by the slow addition of 10percent potassium bisulfate at 4° C. The mixture was warmed to room temperature, and stirred for 30 minutes. Most of the THF was removed under reduced pressure and mixture was diluted with water and extracted thrice with EtOAc. The combined organic layer was washed once with brine, dried over sodium sulfate, filtered and condensed. Purification by column chromatography (40 to 50percent EtOAc/hexanes) gave Boc-Amb-H as a white solid (1.66 g, 7.1 mmol, 85percent). 1H NMR (500 MHz, CDCl3) δ 9.96 (s, 1H), 7.81 (d, J=8.2 Hz, 2H), 7.41 (d, J=8.0 Hz, 2H), 5.12 (s, 1H), 4.37 (d, J=5.6 Hz, 2H), 1.44 (s, 9H). 13C NMR (126 MHz, CDCl3) δ 191.94, 156.03, 146.30, 135.62, 130.14, 127.78, 79.92, 44.44, 28.46. MS (ESI) 235.9 (M+H), 180.2 (M-tBu).
Reference: [1] Journal of the American Chemical Society, 2012, vol. 134, # 10, p. 4465 - 4468
[2] Patent: WO2013/106646, 2013, A2, . Location in patent: Page/Page column 78
[3] Patent: US2014/356322, 2014, A1, . Location in patent: Paragraph 0252; 0254
  • 3
  • [ 510772-10-8 ]
  • [ 24424-99-5 ]
  • [ 156866-52-3 ]
YieldReaction ConditionsOperation in experiment
53% With hydrogen; palladium In tetrahydrofuran; N,N-dimethyl-formamide at 50℃; for 46 h; Inert atmosphere General procedure: The hydrogenation of 3-phenylpropylazide (Table 2, entry 1) is given as an example. 3-Phenylpropylazide (3a) (207.2 mg, 1.29 mmol) was charged into an Ar-filled 100 mL glass autoclave equipped with a Teflon-coated magnetic stirring bar. THF (1.2 mL) degassed by three freeze–thaw cycles was introduced via a Teflon cannula, followed by the addition of a solution of the Pd NPs catalyst in DMF (5.0 mM, 20 μL, 0.10 μmol, S/Pd = 12,900:1). Hydrogen was introduced into the reaction vessel until the pressure gauge indicated 8 atm, and then the pressure was carefully released to 1 atm by opening the stop valve. This procedure was repeated five times,and finally hydrogen was pressurized to 8 atm. The vessel was placed in a water bath controlled at 50 °C, and the reaction mixture was vigorously stirred for 16 h. After careful venting of the hydrogen, the reaction mixture was concentrated under reduced pressure. 1,1,2,2-Tetrachloroethane (124.0 mg, 0.739 mmol) was added as an internal standard for the NMR analysis, and the produced 3-phenylpropylamine (4a) was quantified (99.5percent). The reaction mixture was carefully concentrated under reduced pressure to remove THF. To this crude mixture were added dichloromethane (5 mL) and triethylamine (0.45 mL, 3.2 mmol), and the mixture was cooled to 0 °C. Boc2O (726.7 mg, 3.3 mmol) was added at 0 °C, and the solution was stirred at room temperature over night. The reaction mixture was diluted by addition of dichloromethane (10 mL). The solution was washed 3 times successively with water, then once with brine, and dried over magnesium sulfate. After removal of the drying agent by filtration, the solution was concentrated under reduced pressure. The residual oil was purified by silica gel column chromatography (hexane : ethyl acetate = 20:1), giving pure carbamate Boc-4a as a colorless oil (248.3 mg, 87percent).
Reference: [1] Tetrahedron Letters, 2016, vol. 57, # 37, p. 4183 - 4186
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Reference: [1] Patent: US2003/232860, 2003, A1, . Location in patent: Page 13
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  • [ 1314538-55-0 ]
  • [ 104-88-1 ]
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Reference: [1] Organic Letters, 2011, vol. 13, # 15, p. 3956 - 3959
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  • [ 875582-80-2 ]
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Reference: [1] Synthesis, 2005, # 19, p. 3297 - 3300
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  • [ 1314538-55-0 ]
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Reference: [1] Organic Letters, 2012, vol. 14, # 12, p. 3138 - 3141
  • 8
  • [ 56-91-7 ]
  • [ 156866-52-3 ]
Reference: [1] Journal of Medicinal Chemistry, 2004, vol. 47, # 10, p. 2411 - 2413
[2] Patent: WO2011/21209, 2011, A1,
[3] Patent: US2012/101099, 2012, A1,
[4] Journal of the American Chemical Society, 2012, vol. 134, # 10, p. 4465 - 4468
[5] RSC Advances, 2013, vol. 3, # 38, p. 17150 - 17155
[6] Patent: WO2008/40934, 2008, A1,
  • 9
  • [ 33233-67-9 ]
  • [ 156866-52-3 ]
Reference: [1] Journal of Medicinal Chemistry, 2004, vol. 47, # 10, p. 2411 - 2413
[2] Patent: WO2011/21209, 2011, A1,
[3] Patent: US2012/101099, 2012, A1,
[4] Journal of the American Chemical Society, 2012, vol. 134, # 10, p. 4465 - 4468
[5] Patent: WO2013/106646, 2013, A2,
[6] Patent: US2014/356322, 2014, A1,
[7] Journal of Medicinal Chemistry, 2018, vol. 61, # 3, p. 946 - 979
[8] Patent: WO2006/117549, 2006, A1,
[9] Patent: WO2008/40934, 2008, A1,
  • 10
  • [ 24424-99-5 ]
  • [ 156866-52-3 ]
Reference: [1] Tetrahedron, 2002, vol. 58, # 4, p. 741 - 755
[2] Patent: WO2011/21209, 2011, A1,
[3] Organic Letters, 2011, vol. 13, # 15, p. 3956 - 3959
[4] Patent: US2012/101099, 2012, A1,
[5] Journal of the American Chemical Society, 2012, vol. 134, # 10, p. 4465 - 4468
[6] Patent: WO2006/117549, 2006, A1,
[7] Patent: WO2008/40934, 2008, A1,
  • 11
  • [ 39895-56-2 ]
  • [ 156866-52-3 ]
Reference: [1] Tetrahedron, 2002, vol. 58, # 4, p. 741 - 755
[2] Patent: WO2012/95628, 2012, A1,
[3] Journal of Medicinal Chemistry, 2013, vol. 56, # 12, p. 5198 - 5202
[4] Patent: WO2006/117549, 2006, A1,
  • 12
  • [ 105-07-7 ]
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Reference: [1] Synthesis, 2005, # 19, p. 3297 - 3300
[2] Journal of Medicinal Chemistry, 2013, vol. 56, # 12, p. 5198 - 5202
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Reference: [1] Synthesis, 2005, # 19, p. 3297 - 3300
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  • [ 156866-52-3 ]
Reference: [1] Synthesis, 2005, # 19, p. 3297 - 3300
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Reference: [1] Patent: WO2012/95628, 2012, A1,
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Reference: [1] Patent: WO2012/95628, 2012, A1,
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Reference: [1] Patent: WO2012/95628, 2012, A1,
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  • [ 52010-97-6 ]
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Reference: [1] Patent: WO2012/95628, 2012, A1,
  • 19
  • [ 439691-96-0 ]
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Reference: [1] Patent: WO2012/95628, 2012, A1,
  • 20
  • [ 510772-10-8 ]
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Reference: [1] Patent: WO2012/95628, 2012, A1,
  • 21
  • [ 24424-99-5 ]
  • [ 39895-56-2 ]
  • [ 156866-52-3 ]
Reference: [1] RSC Advances, 2013, vol. 3, # 38, p. 17150 - 17155
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Amines

Chemical Structure| 108468-00-4

[ 108468-00-4 ]

1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene

Similarity: 0.91

Chemical Structure| 117445-22-4

[ 117445-22-4 ]

3-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid

Similarity: 0.90

Chemical Structure| 33233-67-9

[ 33233-67-9 ]

4-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid

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Chemical Structure| 71420-95-6

[ 71420-95-6 ]

3-[(Boc-amino)methyl]phenylacetic Acid

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Chemical Structure| 174799-52-1

[ 174799-52-1 ]

tert-Butyl (2-(benzylamino)ethyl)carbamate

Similarity: 0.86