[ CAS No. 123-00-2 ]

Name: 123-00-2|3-Morpholinopropan-1-amine|98%
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Quality Control of [ 123-00-2 ]

COA NMR CNMR HPLC LC-MS

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Product Details of [ 123-00-2 ]

CAS No. :	123-00-2	MDL No. :	MFCD00006184
Formula :	C₇H₁₆N₂O	Boiling Point :	224°C at 760 mmHg
Linear Structure Formula :	-	InChI Key :	N/A
M.W :	144.21 g/mol	Pubchem ID :	61055
Synonyms :

Calculated chemistry of of [ 123-00-2 ]

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	44.25
TPSA :	38.49 Å²

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) :	-7.67 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.88
Log Po/w (XLOGP3) :	-0.69
Log Po/w (WLOGP) :	-0.71
Log Po/w (MLOGP) :	-0.31
Log Po/w (SILICOS-IT) :	0.56
Consensus Log Po/w :	0.15

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.1
Solubility :	114.0 mg/ml ; 0.792 mol/l
Class :	Very soluble
Log S (Ali) :	0.36
Solubility :	328.0 mg/ml ; 2.27 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-0.9
Solubility :	18.2 mg/ml ; 0.126 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.6

Safety of [ 123-00-2 ]

Signal Word:	Danger	Class:	8
Precautionary Statements:	P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501	UN#:	2735
Hazard Statements:	H302-H314	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 123-00-2 ]

* 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 [ 123-00-2 ]
Downstream synthetic route of [ 123-00-2 ]

[ 123-00-2 ] Synthesis Path-Upstream 1~15

1
[ 4542-47-6 ]
[ 110-91-8 ]
[ 123-00-2 ]

Yield	Reaction Conditions	Operation in experiment
22%	With sodium tetrahydroborate; hydrogen; nickel dichloride In <i>tert</i>-butyl alcohol at 70℃; for 8 h;	Similarly to the described above, using sodium borohydride (0.6 g, 0.016 mol), 15 mL of tert-butanol, anhydrous nickel(II) chloride (1.0 g, 0.008 mol), and nitrile 1n (14 g, 0.1 mol). The reaction duration was 8h, the temperature was 70°C. Morpholine 9n, content 22 wt percent. Mass spectrum, m/e (I_rel, percent): 88.8 (2) [ M+2], 87.9 (59) [ M+ 1], 86.8 (67) [M], 86.0 (100), 56.9(86), 55.9 (98), 41.9 (28). 3-N-Morpholino-1-aminopropane 2n, content 59 wt percent. Mass spectrum, m/e(I_rel, percent): 145.0 (5) [ M+ 1], 128.0 (1.5), 126.8 (7),113.0 (32), 101.0 (11), 100.0 (100), 86.0 (7), 72.0 (10),70.0 (30), 57.0 (11), 56.0 (35), 42.0 (30).

Reference： [1] Russian Journal of General Chemistry, 2016, vol. 86, # 2, p. 273 - 280[2] Zh. Obshch. Khim., 2016, vol. 86, # 2, p. 245 - 252,8

2
[ 4542-47-6 ]
[ 123-00-2 ]

Reference： [1] Journal of the Indian Chemical Society, 1958, vol. 35, p. 205,208,209
[2] Journal of the American Chemical Society, 1944, vol. 66, p. 725,728
[3] Patent: US2883370, 1954, ,
[4] Bioorganic and Medicinal Chemistry Letters, 1997, vol. 7, # 6, p. 675 - 680

3
[ 110-91-8 ]
[ 6276-54-6 ]
[ 123-00-2 ]

Reference： [1] Patent: CN107619390, 2018, A, . Location in patent: Paragraph 0015

4
[ 106018-95-5 ]
[ 123-00-2 ]

Reference： [1] Tetrahedron Letters, 1986, vol. 27, # 19, p. 2099 - 2102

5
[ 4542-47-6 ]
[ 123-00-2 ]
[ 18889-29-7 ]

Reference： [1] Journal of the American Chemical Society, 1944, vol. 66, p. 725,728

6
[ 6820-95-7 ]
[ 123-00-2 ]

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 6, p. 1593 - 1597
[2] ACS Chemical Neuroscience, 2015, vol. 6, # 8, p. 1317 - 1330
[3] European Journal of Medicinal Chemistry, 2016, vol. 109, p. 124 - 133

7
[ 80500-17-0 ]
[ 123-00-2 ]
[ 119-61-9 ]

Reference： [1] Journal of the American Chemical Society, 1982, vol. 104, # 3, p. 730 - 736

8
[ 23159-07-1 ]
[ 123-00-2 ]

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2003, vol. 13, # 13, p. 2131 - 2135

9
[ 104712-03-0 ]
[ 123-00-2 ]

Reference： [1] Pharmaceutical Chemistry Journal, 1985, vol. 19, # 7, p. 479 - 481[2] Khimiko-Farmatsevticheskii Zhurnal, 1985, vol. 19, # 7, p. 829 - 832

10
[ 110-91-8 ]
[ 5460-29-7 ]
[ 123-00-2 ]

Reference： [1] Journal of the American Chemical Society, 1941, vol. 63, p. 156,158

11
[ 110-91-8 ]
[ 42251-84-3 ]
[ 123-00-2 ]

Reference： [1] Zhurnal Obshchei Khimii, 1938, vol. 8, p. 56,62[2] Chem. Zentralbl., 1940, vol. 111, # I, p. 548

12
[ 7357-67-7 ]
[ 1074-82-4 ]
[ 123-00-2 ]

Reference： [1] Farmaco, Edizione Scientifica, 1958, vol. 13, p. 261,282

13
[ 503-29-7 ]
[ 110-91-8 ]
[ 123-00-2 ]

Reference： [1] J. Gen. Chem. USSR (Engl. Transl.), 1991, vol. 61, # 8.2, p. 1700 - 1713[2] Zhurnal Obshchei Khimii, 1991, vol. 61, # 8, p. 1841 - 1856

14
[ 110-91-8 ]
[ 107-13-1 ]
[ 123-00-2 ]
[ 18889-29-7 ]

Reference： [1] Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1953, vol. 236, p. 1976

15
[ 123-00-2 ]
[ 1380432-31-4 ]
[ 1380432-32-5 ]

Yield	Reaction Conditions	Operation in experiment
93%	With N-ethyl-N,N-diisopropylamine In iso-butanol at 120℃; for 0.5 h; Microwave irradiation	₄Synthesis of EHop-016 [0031] ¹H and ¹³C NMR spectra were recorded on a Bruker 400 MHz Spectrometer. Mass spectra were obtained on a Hewlett Packard 6890N GC/MS Spectrometer. All chemicals were purchased from Sigma Aldrich Chemical Company. The synthesis of EHop-016 (5) was performed in two steps according to the reaction scheme provided in FIG. 1(A), and carried out analogous to the procedure described in (58). (2-Chloro-pyrimidin-4-yl)-(9-ethyl-9H-carbazol-3-yl)-amine 3 was obtained as a pure compound in a yield of 53percent. The product was identified with TLC, NMR and GC/MS. R_f=0.23 (3:1, Hexane-Ethyl Acetate); ¹H NMR (DMSO-d₆, 400 MHz) δ 1.32 (t, J=6.9 Hz, 3H), 4.45 (q, J=6.6 Hz, 2H), 6.72 (s, 1H), 7.20 (t, J=7.36 Hz, 1H), 7.47 (t, J=7.30 Hz, 1H), 7.56 (s, 1H), 7.62 (t, J=8.68 Hz, 1H), 8.11 (t, J=7.36 Hz, 1H), 8.27 (s, 1H), 10.1 (s, 1H); ¹³C (DMSO-d₆, 100 MHz) δ 13.7, 37.0, 109.2, 109.4, 115.0, 118.7, 120.3, 121.3, 121.9, 122.3, 125.9, 129.9, 136.9, 140.0, 156.9, 159.6, 162.4; LRGC-MS m/z (rel percent):[M]⁺ 276 (100), [M-Cl]⁺ 241 (40), [M-C₅H₅N₃Cl]⁺ 134 (26). N⁴-(9-Ethyl-9H-carbazol-3-yl)-N2-(3-morpholin-4-yl-propyl)-pyrimidine-2,4-diamine 5 (EHop-016) was obtained as a pure compound in a yield of 93percent. The product was identified to be essentially pure by TLC and NMR: R_f=0.34 (9:1, CH₂Cl₂—MeOH); ¹H NMR (DMSO-d₆, 400 MHz) δ 1.31 (t, J=7.0 Hz, 3H), 1.73 (m, 2H), 2.32 (m, 2H), 2.34 (t, J=6.89 Hz, 8H), 3.52 (m, 2H), 4.42 (q, J=7.0 Hz, 2H), 5.98 (d, J=5.7 Hz, 1H), 6.69 (t, J=5.3 Hz, 1H), 7.16 (t, J=7.4, 1H), 7.43 (t, J=7.2 Hz, 1H), 7.53 (t, J=9.0 Hz, 4H), 7.81 (d, J=5.4 Hz, 1H), 8.10 (s, 1H), 8.66 (s, 1H), 9.1 (s, 1H); ¹³C (DMSO-d₆, 100 MHz) δ 13.7, 26.2, 36.9, 53.4, 56.3, 66.2, 108.9, 109.0, 118.2, 119.7, 120.2, 122.0, 122.2, 125.6, 132.5, 135.5, 139.9, 159.8, 160.9, 162.1.

Reference： [1] Patent: US2013/172552, 2013, A1, . Location in patent: Paragraph 0031

[ 123-00-2 ] Synthesis Path-Downstream 1~31

1
[ 123-00-2 ]
[ 403-16-7 ]
[ 896-03-7 ]

Reference： [1]Journal of the Chemical Society,1963,p. 2784 - 2787

2
[ 123-00-2 ]
[ 14527-26-5 ]
[ 13910-60-6 ]

Reference： [1]Chemical and pharmaceutical bulletin,1967,vol. 15,p. 228 - 232

3
[ 123-00-2 ]
[ 1074-40-4 ]
[ 104665-82-9 ]

Reference： [1]Journal of the Indian Chemical Society,1960,vol. 37,p. 617 - 620

4
[ 123-00-2 ]
[ 6492-86-0 ]
[ 58232-30-7 ]

Reference： [1]Journal of Heterocyclic Chemistry,1986,vol. 23,p. 849 - 855

5
[ 123-00-2 ]
[ 33045-53-3 ]
[ 102535-22-8 ]

Reference： [1]Collection of Czechoslovak Chemical Communications,1990,vol. 55,p. 797 - 808
[2]Journal of Medicinal Chemistry,1986,vol. 29,p. 1814 - 1820

6
[ 123-00-2 ]
[ 63875-01-4 ]
[1-(2-Methyl-pyridin-4-yl)-meth-(E)-ylidene]-(3-morpholin-4-yl-propyl)-amine [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1996,vol. 39,p. 3929 - 3937

7
[ 123-00-2 ]
[ 18206-06-9 ]
[1-(2,6-Dimethyl-pyridin-4-yl)-meth-(E)-ylidene]-(3-morpholin-4-yl-propyl)-amine [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1996,vol. 39,p. 3929 - 3937

8
[ 123-00-2 ]
[ 63875-01-4 ]
2-methylpyridine-4-carboxaldehyde [3-(4-morpholinyl)propyl]imine [ No CAS ]

Reference： [1]Patent: EP1229035,2002,A1 .Location in patent: Page 23
[2]Bioorganic and Medicinal Chemistry,1997,vol. 5,p. 49 - 64
[3]Patent: EP1227092,2002,A2 .Location in patent: Page 23

9
[ 123-00-2 ]
[ 18206-06-9 ]
[1-(2,6-Dimethyl-pyridin-4-yl)-meth-(E)-ylidene]-(3-morpholin-4-yl-propyl)-amine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,1997,vol. 5,p. 49 - 64

10
[ 123-00-2 ]
[ 108-77-0 ]
[ 14002-33-6 ]
C₈₃H₁₄₅N₃₃O₁₃ [ No CAS ]

Reference： [1]Tetrahedron Letters,2001,vol. 42,p. 493 - 496

11
[ 123-00-2 ]
[ 69812-29-9 ]
[ 16590-41-3 ]
C₃₃H₄₅N₅O₇S₂ [ No CAS ]

Reference： [1]Synlett,2002,p. 92 - 96

12
[ 123-00-2 ]
[ 14527-26-5 ]
N-(3-morpholin-4-yl-propyl)-guanidine hydrochloride [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2005,vol. 13,p. 2397 - 2411

13
[ 123-00-2 ]
[ 83664-33-9 ]
[ 861884-74-4 ]

Reference： [1]Tetrahedron Letters,2005,vol. 46,p. 4621 - 4625

14
[ 123-00-2 ]
[ 6314-28-9 ]
[ 86123-10-6 ]
[ 117322-30-2 ]
MEN 14268 [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 4841 - 4844

15
[ 123-00-2 ]
[ 6314-28-9 ]
[ 86123-10-6 ]
[ 135944-07-9 ]
C₃₅H₃₈N₄O₄S [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 4841 - 4844

16
[ 123-00-2 ]
[ 101066-61-9 ]
2-chloropyridine-4-carboxaldehyde [3-(4-morpholinyl)propyl]imine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		This aldehyde was reacted with 4-(3-aminopropyl)morpholine by the procedure of example 1(c) to afford the title compound as a yellow oil. 1 H NMR (CD3 Cl): delta8.45 (d, J=5.1 Hz, 1H), 8.24 (s, 1H), 7.63 (s, 1H); 7.51 (d, J=5.1 Hz, 1H), 3.72 (m, 6H), 2.44 (m, 6H), 1.91 (m, 2H).
		This aldehyde was reacted with 4-(3-aminopropyl)morpholine by the procedure of example 1(c) to afford the title compound as a yellow oil. 1 H NMR (CD3 Cl): delta8.45 (d, J=5.1 Hz, 1H), 8.24 (s, 1H), 7.63 (s, 1H); 7.51 (d, J=5.1 Hz, 1H), 3.72 (m, 6H), 2.44 (m, 6H), 1.91 (m, 2H).
		This aldehyde was reacted with 4-(3-aminopropyl)morpholine by the procedure of example 1(c) to afford the title compound as a yellow oil. 1 H NMR (CD3 Cl): delta 8.45 (d, J=5.1 Hz, 1H), 8.24(s, 1H),7.63 (s, 1H); 7.51 (d, J=5.1Hz, 1H), 3.72 (m, 6H), 2.44 (m, 6H), 1.91 (m, 2H).

Reference： [1]Patent: US5593991,1997,A
[2]Patent: US5593992,1997,A
[3]Patent: US5670527,1997,A
[4]Patent: EP1227092,2002,A2 .Location in patent: Page 23

17
[ 123-00-2 ]
[ 63071-13-6 ]
C₁₃H₂₀ClN₃O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
60%		A mixture of <strong>[63071-13-6]4-chloro-2-pyridinecarboxaldehyde</strong> (200 mg, 0.0014 mol), N-(3- aminopropyl)morpholine (224 mg, 0.0015 mol), palphara-toluene sulfonic acid (134 mg, 0.00070 mol) and 3A molecular sieves was stirred at room temperature under Argon for 7 hours. Molecular sieves were filtered off, the reaction mixture was cooled down to O0C, and sodium borohydride (107 mg, 0.0028 mol) was slowly added. The mixture was stirred at room temperature for 17 hours, poured out into water and extracted with DCM. The organic layer was separated, washed with a saturated solution of hydrogen carbonate, dried (MgSO4), filtered, and the solvent was evaporated. The residue was purified by column chromatography over silica gel (40-63 mum) (eluent:DCM/MeOH/NuH3 85/15/3). The pure fractions were collected and the solvent was evaporated, yielding 230 mg (60%) of intermediate 76 as a yellow oil.

Reference： [1]Patent: WO2006/32631,2006,A1 .Location in patent: Page/Page column 61

18
[ 123-00-2 ]
[ 13852-51-2 ]
1-methyl-2-amino-N-(γ-morpholino propyl)-4-amino-5-nitro-benzene [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; In pyridine; (2S)-N-methyl-1-phenylpropan-2-amine hydrate;	EXAMPLE I Preparation of 1-methyl-2-amino-N-(gamma-morpholino propyl)-4-amino-5-nitro-benzene: The formula for the reaction is: STR10 1. The method of preparation: To 18.65 g (0.1 mole) of <strong>[13852-51-2]1-methyl-2-amino-4-chloro-5-nitro-benzene</strong> dissolved in 40 cc of pyridine, add drop by drop gamma-aminopropyl morpholine and heat it to reflux (130-135 C) for 10 hours. By distillation remove the pyridine in excess and introduce drop by drop the resulting oil obtained into 300 cc of 1N hydrochloric acid. This forms a chestnut colored precipitate which is washed twice with 80 cc of ice water. 23.5 g of a dry product are recovered which is recrystallized in a mixture of alcohol water. After drying, the product melts at 85 C.

Reference： [1]Patent: US4018556,1977,A

19
[ 123-00-2 ]
[ 10320-42-0 ]
N-(3-morpholinopropyl)-5-nitropyrimidin-2-amine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethyl-N,N-diisopropylamine; In isopropyl alcohol; at 70℃; for 20h;	<strong>[10320-42-0]<strong>[10320-42-0]2-Chloro-5-nitropyrimidin</strong>e</strong> 15 (500 mg, 3.13 mmol), 3-morpholinopropan-1-amine (1.35 g, 9.39 mmol) and DIEA (3.4 mL, 4.7 mmol) were taken up in IPA (20 mL) in a resealable pyrex tube and heated at 70° C. for 20 h. After cooling to rt, N-(3-morpholinopropyl)-5-nitropyrimidin-2-amine precipitated out of solution and was collected by filtration through a Buchner micro membrane, and washing with MeOH, then drying to afford the 5-nitro intermediate as a pale yellow solid.

Reference： [1]Journal of Medicinal Chemistry,2008,vol. 51,p. 1681 - 1694
[2]Patent: US2007/72862,2007,A1 .Location in patent: Page/Page column 27

20
[ 123-00-2 ]
[ 40972-42-7 ]
[ 1034622-07-5 ]

Yield	Reaction Conditions	Operation in experiment
57%	In ethanol; at 120.0℃; for 16.0h;	6-Chloroimidazo[1,2-b]pyridazine 41 (6.53 mmol) was dissolved in chloroform (12 mL) and N-chlorosuccinimide (6.53 mmol) added under N2. After stirring for 16 h, the mixture was partitioned between saturated sodium hydrogensulfate solution (25 mL) and chloroform (12 mL). The organic layer was removed, washed with water (2×), dried and concentrated to provide <strong>[40972-42-7]3,6-dichloroimidazo[1,2-b]pyridazine</strong> 5 (1.05 g, 85%) as an orange solid; 1H NMR (500 MHz, CDCl3) delta 7.92 (d, J=9.5 Hz, 1H), 7.74 (s, 1H), 7.12 (d, J=9.5 Hz, 1H). 3,6-Dichloroimidazo[1,2-b]pyridazine 5 (150 mg, 0.8 mmol) and the desired amine (1 mL) were heated in a sealed tube for 16 hr at 120 C. Upon cooling the reaction mixture was concentrated and purified by column chromatography (12 g ISCO column eluting with methylene chloride and a methanol/ammonia mixture (10:1); gradient 100% methylene chloride to 80% methylene chloride over 30 min at 25 mL/min) to provide the desired product 6.

Reference： [1]Patent: US2008/153813,2008,A1 .Location in patent: Page/Page column 10

21
[ 123-00-2 ]
[ 403-45-2 ]
[ 1221489-90-2 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2010,vol. 18,p. 1659 - 1664

22
[ 253801-04-6 ]
[ 123-00-2 ]
C₁₅H₂₀N₄O [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 1480 - 1483

23
[ 253801-04-6 ]
[ 123-00-2 ]
[ 1093303-38-8 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 1480 - 1483

24
[ 123-00-2 ]
[ 3328-69-6 ]
[ 1257525-71-5 ]

Yield	Reaction Conditions	Operation in experiment
	for 2h;Reflux;	4-(3-Aminopropyl)morpholine (0.115 g, 0.8 mmol) was added to methanolic solution (20 mL) of DFP (0.065 g, 0.4 mmol) and the resulting solution was stirring for 15 min and then refluxed for 2 h. This ?solution of HL2? was used for subsequent reactions without isolation and further purification or characterization.

Reference： [1]Journal of Molecular Structure,2015,vol. 1101,p. 1 - 7

25
[ 123-00-2 ]
[ 3328-69-6 ]
C₂₃H₃₅Cl₂Cu₂N₇O₃ [ No CAS ]

Reference： [1]Journal of Molecular Structure,2015,vol. 1101,p. 1 - 7

26
[ 123-00-2 ]
[ 50-00-0 ]
[ 520-33-2 ]
C₂₄H₃₀N₂O₇ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
53%	In methanol; water; for 0.5h;	General procedure: To a solution of <strong>[520-33-2]hesperetin</strong> 2 (1.82mmol) in MeOH (40mL) was added 37% formaldehyde-water (150muL, 1.82mmol, 1.0equiv), after vigorous stirring at 30C for 30min, different amines (2.00mmol, 1.1equiv) were added and the mixture was stirred overnight. The reaction was monitored by TLC. The mixture was concentrated in vacuo and the residue was purified by silica gel column chromatography (CH2Cl2/MeOH, 5:1?3:1) to give title compounds 3a-3p (yields 47-80%, Scheme 1).

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2016,vol. 26,p. 1460 - 1465

27
[ 123-00-2 ]
[ 4506-66-5 ]
N1,N2,N4,N5-tetrakis (3-morpholinopropyl)-2,5-diamino-1,4-benzoquinonediimine [ No CAS ]

Reference： [1]Organic Letters,2016,vol. 18,p. 5340 - 5343

28
[ 123-00-2 ]
[ 53590-49-1 ]
1-[(5-chloro)-1H-indol-2-yl]-N-[3-(4-morpholinyl)propyl]methanamine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
89%		General procedure: A round-bottom flask containing the 1H-indole-2-carbaldehyde34or <strong>[53590-49-1]5-chloro-1H-indole-2-carbaldehyde</strong>35 (1 eq.), the desiredamine (1 eq.) and anhydrous Na2SO4 (6 eq.) in CH2Cl2 was stirredovernight at room temperature. The reaction was filtered and thesolvent removed under reduced pressure. The residue was solubilizedin anhydrous MeOH and 2 eq. of NaBH4 were added in an icebath. After the addition, the ice bath was removed and the reactionwas kept under magnetic stirring at room temperature until thecompletion of the reaction was detected by TLC (1-2 h). The reactionwas quenched with distilled water, the MeOH was removedunder reduced pressure and the resulting aqueous phase wasextracted with 2 15 mL AcOEt. The organic layers were combinedand extracted with a 0.3 M HCl solution and the aqueouslayer was collected, alkalinized with 1 M NaOH and extracted with2 15 mL AcOEt. Finally, the organic layer was dried with Na2SO4,filtered and the solvent evapored under reduced pressure

Reference： [1]Bioorganic and Medicinal Chemistry,2017,vol. 25,p. 1889 - 1900

29
[ 123-00-2 ]
[ 29427-58-5 ]
C₈H₁₈N₄O*(x)H₂O₄S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
42%	In water; at 100℃; for 24h;	General procedure: To a solution of primary amines 7a-l (2 eq) inwater (0.5 mol/L) wasadded O-methylisourea bisulfate (1 eq). Solution was stirred at 100 C for 24 h. After concentration to dryness, ethanol was addedand the residue was sonicated until apparition of a precipitate. Insome difficult cases, the suspension in ethanol was stored overnightin a freezer and triturated with cold ethanol to get a powder.Addition of a few drops of diethylether was also occasionallyneeded to induce precipitation. The solids 8a-l were collected byfiltration, washed with ethanol and dried overnight under vacuum.Due to the hygroscopicity of isolated solids, no melting points weredetermined for these series. NH signals are missing for all compoundsin 1H NMR spectra.

Reference： [1]European Journal of Medicinal Chemistry,2019,vol. 166,p. 304 - 317

30
[ 123-00-2 ]
[ 87486-34-8 ]
5-bromo-1-methyl-3-((3-morpholinopropyl)amino)pyrazin-2(1H)-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 80℃; for 5h;	General procedure: To a solution of 2a-j (10 mmol, 1.0 eq) , <strong>[87486-34-8]3,5-dibromo-1-methylpyrazin-2(1H)-one</strong> (2.95 g, 11 mmol, 1.1 eq) and DIEA (3.3 mL,20 mmol, 2.0 eq) in MeCN (20mL) was stirred at 80 °C for 5 hours. After cooling to room temperature, thesolvent was removed in vacuo, and the residue was purified using silica gelchromatography to give the title compounds, yield 72-85percent.

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2019,vol. 29,p. 1609 - 1613

31
[ 123-00-2 ]
[ 101012-12-8 ]
N-(3-morpholinopropyl) 2-chlorothiazole-5-carboxamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2020,vol. 63,p. 205 - 215

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[ 123-00-2 ]

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H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 123-00-2 ]

Quality Control of [ 123-00-2 ]

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Medicinal Chemistry

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[ 123-00-2 ] Synthesis Path-Upstream 1~15

[ 123-00-2 ] Synthesis Path-Downstream 1~31

Related Functional Groups of [ 123-00-2 ]

Amines

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Morpholines

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[ 123-00-2 ]

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[ 123-00-2 ]