[ CAS No. 15827-56-2 ] {[proInfo.proName]}

Name: 15827-56-2|cis-Cyclohexane-1,4-diamine|95%
Brand: Ambeed
SKU: A724427
Price: 14.0 USD
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Quality Control of [ 15827-56-2 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 15827-56-2 ]

Product Details of [ 15827-56-2 ]

CAS No. :	15827-56-2	MDL No. :	MFCD08276323
Formula :	C₆H₁₄N₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	VKIRRGRTJUUZHS-UHFFFAOYSA-N
M.W :	114.19	Pubchem ID :	18374
Synonyms :

Calculated chemistry of [ 15827-56-2 ]

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	34.26
TPSA :	52.04 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) :	-7.22 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.41
Log Po/w (XLOGP3) :	-0.32
Log Po/w (WLOGP) :	0.21
Log Po/w (MLOGP) :	0.21
Log Po/w (SILICOS-IT) :	0.15
Consensus Log Po/w :	0.33

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.35
Solubility :	51.4 mg/ml ; 0.45 mol/l
Class :	Very soluble
Log S (Ali) :	-0.31
Solubility :	55.7 mg/ml ; 0.488 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.31
Solubility :	55.8 mg/ml ; 0.489 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.93

Safety of [ 15827-56-2 ]

Signal Word:	Danger	Class:	8
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:	2735
Hazard Statements:	H227-H314	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 15827-56-2 ]

* 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 [ 15827-56-2 ]
Downstream synthetic route of [ 15827-56-2 ]

[ 15827-56-2 ] Synthesis Path-Upstream 1~9

1
[ 3114-70-3 ]
[ 2615-25-0 ]
[ 15827-56-2 ]

Yield	Reaction Conditions	Operation in experiment
30 % de	at 200℃; for 2 h; Inert atmosphere; Autoclave	In a 500 mL autoclave, 100 g of 1,4-diaminocyclohexane (cis / trans form = 80/20, manufactured by Tokyo Chemical Industry Co., Ltd.), 100 g of propylene glycol monomethyl ether (PGME) 7.5 g of Ru catalyst ("AA-4501", 5percent Ru alumina powder, manufactured by N. E-Chemcat Co., Ltd.) and 0.63 g of sodium methoxide (manufactured by Tokyo Chemical Industry Co., Ltd.) were charged, (N 2) gas (10 kgf / cm 3) was repeated three times, and the inside of the system was replaced with nitrogen gas.While stirring at a stirring speed of 300 rpm, a temperature The reaction was carried out for 2 hours under the condition of 200 ° C. and pressure (pressure of N 2 gas) of 12 MPa. After the reaction, the reaction mixture was cooled to room temperature and pressure filtered using a 0.2 μm membrane filter to remove the catalyst to obtain a filtrate. Analysis of the obtained filtrate by gas chromatography mass spectrometry (GC-MS) revealed that the proportion of cis isomer was 63.37 areapercent, the proportion of trans form was 34.7 areapercent, the other components (4-aminocyclo By-product such as hexanol) was 1.93 areapercent, and cis / trans form = 65/35.

Reference： [1] Patent: JP2015/13833, 2015, A, . Location in patent: Paragraph 0062; 0073

2
[ 556-48-9 ]
[ 2615-25-0 ]
[ 15827-56-2 ]

Reference： [1] ChemCatChem, 2013, vol. 5, # 10, p. 2905 - 2912

3
[ 106-50-3 ]
[ 2615-25-0 ]
[ 15827-56-2 ]

Reference： [1] Russian Journal of Applied Chemistry, 2014, vol. 87, # 3, p. 397 - 403[2] Zh. Prikl. Khim. (S.-Peterburg, Russ. Fed.), 2014, vol. 87, # 3, p. 397 - 403,7

4
[ 106-50-3 ]
[ 2615-25-0 ]
[ 15827-56-2 ]
[ 108-91-8 ]

Reference： [1] Russian Journal of Applied Chemistry, 2014, vol. 87, # 3, p. 397 - 403[2] Zh. Prikl. Khim. (S.-Peterburg, Russ. Fed.), 2014, vol. 87, # 3, p. 397 - 403,7

5
[ 100-02-7 ]
[ 2615-25-0 ]
[ 15827-56-2 ]
[ 27489-62-9 ]
[ 6850-65-3 ]

Reference： [1] ChemCatChem, 2018, vol. 10, # 17, p. 3689 - 3693

6
[ 106-50-3 ]
[ 2615-25-0 ]
[ 15827-56-2 ]
[ 6850-65-3 ]
[ 108-91-8 ]
[ 108-93-0 ]

Reference： [1] Russian Journal of Applied Chemistry, 2014, vol. 87, # 3, p. 397 - 403[2] Zh. Prikl. Khim. (S.-Peterburg, Russ. Fed.), 2014, vol. 87, # 3, p. 397 - 403,7

7
[ 106-50-3 ]
[ 2615-25-0 ]
[ 15827-56-2 ]
[ 6850-65-3 ]
[ 108-91-8 ]
[ 108-93-0 ]

Reference： [1] Russian Journal of Applied Chemistry, 2014, vol. 87, # 3, p. 397 - 403[2] Zh. Prikl. Khim. (S.-Peterburg, Russ. Fed.), 2014, vol. 87, # 3, p. 397 - 403,7

8
[ 100-02-7 ]
[ 2615-25-0 ]
[ 15827-56-2 ]
[ 27489-62-9 ]
[ 6850-65-3 ]

Reference： [1] ChemCatChem, 2018, vol. 10, # 17, p. 3689 - 3693

9
[ 24424-99-5 ]
[ 15827-56-2 ]
[ 247570-24-7 ]

Yield	Reaction Conditions	Operation in experiment
66.78%	Stage #1: With hydrogenchloride In methanol at 20℃; for 1 h; Stage #2: at 20℃; for 1.16667 h;	Ice-cooled methanol (5.1 ml)Was dissolved 1,4-dach (1.14 g, 10 mmol)Let me say,6N hydrochloric acid (1.7 ml, 10 mmol) was added,And the mixture was stirred at room temperature for 15 minutes.after that,The mixture was stirred at room temperature for 45 minutes,(BOC) 2 O (3.2 g, 15 mmol) dissolved in methanol (7 ml) was slowly added over 10 minutes.after that,The mixture was stirred at room temperature for 1 hour.Evaporate,Methanol was removed from the mixed solution,Diethyl ether (15 ml) was added to remove unreacted (BOC) 2 O.A 2 N aqueous solution of sodium hydroxide (8 ml) was added,After confirming that the mixed solution became alkaline,And extracted three times with dichloromethane (15 ml).The organic layer was washed with saturated brine (15 ml)It was dried with magnesium sulfate,By evaporating the dried organic layer,BOC-1,4-dach was obtained (yield 2.85 g, yield 66.78percent).

Reference： [1] Patent: JP2016/74639, 2016, A, . Location in patent: Paragraph 0145-0147

[ 15827-56-2 ] Synthesis Path-Downstream 1~63

1
[ 100-01-6 ]
[ 15827-56-2 ]

Reference： [1]Patent: US2606925,1949,

2
[ 1943-83-5 ]
[ 15827-56-2 ]
[ 61366-98-1 ]

Reference： [1]Journal of Medicinal Chemistry,1977,vol. 20,p. 279 - 290

3
[ 15827-56-2 ]
[ 100-52-7 ]
[ 113282-19-2 ]

Reference： [1]Bulletin of the Academy of Sciences of the USSR Division of Chemical Science,1988,vol. 37,p. 715 - 718
Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1988,p. 835 - 839
[2]Journal of the American Chemical Society,2007,vol. 129,p. 11821 - 11827

4
[ 32222-08-5 ]
[ 15827-56-2 ]

Reference： [1]Journal of medicinal chemistry,1965,vol. 8,p. 401 - 404

5
[ 15827-56-2 ]
[ 181760-12-3 ]
[ 181760-73-6 ]

Reference： [1]Australian Journal of Chemistry,1996,vol. 49,p. 573 - 579

6
[ 15827-56-2 ]
[ 190655-00-6 ]
N²-(4-amino-cyclohexyl)-9-ethyl-N⁶-(4-fluoro-phenyl)-9H-purine-2,6-diamine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 91 - 96

7
[ 15827-56-2 ]
[ 190654-77-4 ]
N²-(4-amino-cyclohexyl)-N⁶-(3-chloro-phenyl)-9-ethyl-9H-purine-2,6-diamine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 91 - 96

8
[ 15827-56-2 ]
[ 190654-95-6 ]
N²-(4-amino-cyclohexyl)-9-ethyl-N⁶-(3-fluoro-phenyl)-9H-purine-2,6-diamine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 91 - 96

9
[ 15827-56-2 ]
[ 190654-91-2 ]
N²-(4-amino-cyclohexyl)-9-ethyl-N⁶-(3-methoxy-phenyl)-9H-purine-2,6-diamine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 91 - 96

10
[ 15827-56-2 ]
[ 190654-97-8 ]
3-[2-(4-amino-cyclohexylamino)-9-ethyl-9H-purin-6-ylamino]-benzonitrile [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 91 - 96

11
[ 15827-56-2 ]
[ 190654-87-6 ]
N²-(4-amino-cyclohexyl)-9-ethyl-N⁶-(3-trifluoromethyl-phenyl)-9H-purine-2,6-diamine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 91 - 96

14
[ 663885-49-2 ]
[ 15827-56-2 ]
2-[(cis-4-aminocyclohexyl)amino]-6-[(2-hydroxybenzyl)amino]-9-isopropyl-8-azapurine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2005,vol. 13,p. 5399 - 5407

15
[ 864269-43-2 ]
[ 15827-56-2 ]
2-[(cis-4-aminocyclohexyl)amino]-6-[(3-hydroxy-4-methoxybenzyl)amino]-9-isopropyl-8-azapurine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2005,vol. 13,p. 5399 - 5407

16
[ 832696-36-3 ]
[ 15827-56-2 ]
1-methyl-1H-indole-2-carboxylic acid (4-{4-amino-7-[3-(4-amino-cyclohexylamino)-propenyl]-thieno[3,2-c]pyridin-3-yl}-2-methoxy-phenyl)-amide [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 1167 - 1171

17
[ 15827-56-2 ]
N-(4-Amino-cyclohexyl)-N'-(5-chloro-pyrimidin-2-yl)-guanidine; hydrochloride [ No CAS ]

Reference： [1]Australian Journal of Chemistry,1996,vol. 49,p. 573 - 579

18
[ 15827-56-2 ]
N-(5-Chloro-pyrimidin-2-yl)-N'-{4-[N'-(5-chloro-pyrimidin-2-yl)-guanidino]-cyclohexyl}-guanidine; hydrochloride [ No CAS ]

Reference： [1]Australian Journal of Chemistry,1996,vol. 49,p. 573 - 579

19
[ 15827-56-2 ]
[ 117596-27-7 ]

Reference： [1]Bulletin of the Academy of Sciences of the USSR Division of Chemical Science,1988,vol. 37,p. 715 - 718
Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1988,p. 835 - 839

20
[ 15827-56-2 ]
[ 61137-59-5 ]

Reference： [1]Journal of Medicinal Chemistry,1977,vol. 20,p. 279 - 290

21
[ 86-98-6 ]
[ 15827-56-2 ]
[ 191337-05-0 ]

Yield	Reaction Conditions	Operation in experiment
	at 250℃; for 15h;	A mixture of 4,7-dichloroquinoline(2 g, 10.2 mmol) and 1,4-cyclohexanediamine (2.5 g, 21.9 mmol) was heated at 250 C. for 15 hours, cooled to room temperature, diluted with ethanol, and filtered. The residue was extracted with chloroform from 50%NaOH solution. The extract was dried with Na2SO4 and MgSO4, filtered and concentrated to give the desired compound. MS (ESI(+)Q1MS m/z 276 (M+H)+.

Reference： [1]Patent: US2003/229119,2003,A1 .Location in patent: Page 27

22
[ 86-98-6 ]
[ 15827-56-2 ]
cis-N,N'-bis(7-chloroquinolin-4-yl)cyclohexane-1,4-diamine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In 1-methyl-pyrrolidin-2-one; at 150℃; for 15h;	A solution of 4,7-dichloroquinoline (5.4 g, 28.1 mmol), 1,4-diaminocyclohexane(1.4 g, 12.3 mmol, 2:1 cis:trans), and triethylamine(3.6 g, 36.9 mmol) in 1-methyl-2-pyrrolidinone (7 ml) was heated to 150 C. for 15 hours, cooled to room temperature, diluted with diethyl ether and water, and filtered. The residue was flash chromatographed through silica gel column with dichloromethane, methanol and triethylamine (8:1:1 ratio by vol) to provide the desired compound as white solid. MS (ESI(+)Q1MS m/z 437 (M+H)+; 1H NMR (300 MHz, DMSO) delta ppm 8.43 (d, 2H), 8.41 (s, 2H), 7.79 (d, 2H), 7.46 (dd, 2H), 6.92 (d, 2H), 6.59 (d, 2H), 3.77 (br.s, 2H), 1.99 (m, 4H), 1.83 (m, 4H).

Reference： [1]Patent: US2003/229119,2003,A1 .Location in patent: Page 24

23
[ 68050-28-2 ]
[ 15827-56-2 ]
cis-N,N'-bis(7-chloro-4-aminoguinolin-4-yl)cyclohexane-1,4-diamine trifluoroacetic acid salt [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With ( R ) - (+)2,2'-bis(diphenyl phosphino)-1,1'-binaphthyl; sodium t-butanolate;tris-(dibenzylideneacetone)dipalladium(0); In 1,2-dimethoxyethane; at 90℃; for 6h;	A mixture of example 289C (500 mg, 2.35 mmol), 1,4-cyclohexanediamine (133 mg, 1.17 mmol), sodium t-butoxide (275 mg, 2.86 mmol), tris(dibenzylideneacetone)-dipalladium(0) (55 mg, 0.06 mmol) and (R)-(+)-2,2'-bis(diphenylphosphinol)-1,1'-binaphthyl was heated at 90 C. in 1,2-dimethoxyethane (5 mL) for 6 hours, cooled to room temperature, filtered. The 1,2-dimethoxyethane was removed via vacuum and the residue was purified by high throughput HPLC to provide the desired compound as its TRIFLUOROACETIC ACID salt. MS (ESI(+)Q1MS m/z 467 (M+H)+. 1H NMR (300 MHz, DMSO) delta ppm 13.05 (s, 1H), 9.66 (s, 1H), 8.89(s, 1H), 8.57 (d, 1H), 8.37 (d, 1H), 7.93 (d, 1H), 7.85 (s, 2H), 7.70 (d, 1H), 7.65 (dd, 1H), 7.44 (dd, 1H), 6.81 (s, 1H), 6.71 (s, 1H), 3.69 (s, 2H), 2.06 (m, 2H), 1.80 (m, 6H).

Reference： [1]Patent: US2003/229119,2003,A1 .Location in patent: Page 54

24
[ 68050-28-2 ]
[ 15827-56-2 ]
[ 589494-00-8 ]

Yield	Reaction Conditions	Operation in experiment
	With ( R ) - (+)2,2'-bis(diphenyl phosphino)-1,1'-binaphthyl; sodium t-butanolate;tris-(dibenzylideneacetone)dipalladium(0); In 1,2-dimethoxyethane; at 90℃; for 6h;	A mixture of 289C (500 mg, 2.35 mmol), 1,4-cyclohexanediamine (540 mg, 4.70 mmol), sodium t-butoxide(275 mg, 2.86 mmol), tris(dibenzylideneacetone)-dipalladium(0) (55 mg, 0.06 mmol) and (R)-(+)-2,2'-bis(diphenylphosphinol)-1,1'-binaphthyl was heated at 90 C. in 1,2-dimethoxyethane (5 mL) for 6 hours, cooled to room temperature, filtered. The 1,2-dimethoxyethane was removed via vacuum and the residue was purified by high throughput HPLC to provide the desired compound as its trifluoroacetic acid salt. MS (ESI(+)Q1MS m/z 291 (M+H)+.

Reference： [1]Patent: US2003/229119,2003,A1 .Location in patent: Page 54

25
[ 187224-67-5 ]
[ 15827-56-2 ]
[SP-4-2-(cis)]-(1,4-cyclohexanediamine-N,N′)[cyclobutane-1,1-dicarboxylate-O,O′]platinum(II) [ No CAS ]

Reference： [1]Inorganica Chimica Acta,1994,vol. 219,p. 193 - 198
[2]Inorganica Chimica Acta,1994,vol. 219,p. 193 - 198

26
(cyclobutane-1,1-dicarboxylate)bis(dimethylsulfoxide)platinum(II) [ No CAS ]
[ 15827-56-2 ]
[ 7732-18-5 ]
Pt(1,1-cyclobutanedicarboxylate)(cis-1,4-diaminocyclohexane)*H₂O [ No CAS ]

Reference： [1]Inorganic Chemistry,2008,vol. 47,p. 2820 - 2830

27
[ 15827-56-2 ]
[ 108-24-7 ]
C₈H₁₆N₂O [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2008,vol. 16,p. 10034 - 10042

28
[ 15827-56-2 ]
[ 123-62-6 ]
[ 1092521-87-3 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2008,vol. 16,p. 10034 - 10042

29
[ 15827-56-2 ]
[ 123-62-6 ]
C₉H₁₈N₂O [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2008,vol. 16,p. 10034 - 10042

30
[ 15827-56-2 ]
[ 350511-08-9 ]
[ 1093252-76-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2008,vol. 18,p. 5763 - 5765

31
[ 13598-36-2 ]
cobalt(II) chloride hexahydrate [ No CAS ]
[ 15827-56-2 ]
[trans-1,4-diaminocyclohexane(+2H)]Co(HPO₃)2 [ No CAS ]

Reference： [1]Journal of Solid State Chemistry,2010,vol. 183,p. 304 - 309

32
[ 726-42-1 ]
[ 15827-56-2 ]
C₁₄H₁₉N₃ [ No CAS ]

Reference： [1]Organic Letters,2011,vol. 13,p. 4562 - 4565

33
[ 15827-56-2 ]
[ 1388891-42-6 ]

Reference： [1]Patent: WO2012/97013,2012,A1

34
[ 15827-56-2 ]
(1s,4s)-tert-butyl N-[4-([7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1⁽¹²⁾,2⁽⁶⁾,8,10-tetraen-12-yl]amino)cyclohexyl]carbamate [ No CAS ]

Reference： [1]Patent: WO2012/97013,2012,A1

35
[ 300816-22-2 ]
[ 15827-56-2 ]
[ 1388891-36-8 ]

Yield	Reaction Conditions	Operation in experiment
42%	With triethylamine; In N,N-dimethyl-formamide; at 30℃; for 14h;	Example 74. Synthesis of (ls,4s)-Nl-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3- d]pyrimidin-4-[00405] A mixture of intermediate D (500 mg, 2.37 mmol, 1.00 equiv), m-cyclohexane- 1 ,4- diamine (675 mg, 5.91 mmol, 2.49 equiv) and triethylamine (718 mg, 7.10 mmol, 2.99 equiv) in N,N-dimethylformamide (8 mL) was stirred for 14 h at 30 C. The reaction was then quenched by the addition of 50 mL of water. The solids were collected by filtration and dried in an oven under reduced pressure, then loaded onto a silica gel column with dichloromethane / methanol ( 15 / 1 ~ 5 / 1 ) to give 285.7 mg (42%) of Compound 1-154 as a white solid. NMR: (400 MHz, CDC13) delta 8.39 ( 1 H, s), 5.22 ( 1 H, br), 4.37 ( 1 H, s), 3.02-3.06 (4H, m), 2.55-2.58 (2H, m), 1.80- 1.88 (6H, m), 1.27- 1.45 (2H, m). MS: m/z 289 (M+H)+.

Reference： [1]Patent: WO2012/97013,2012,A1 .Location in patent: Page/Page column 163

36
[ 556-48-9 ]
[ 2615-25-0 ]
[ 15827-56-2 ]

Reference： [1]ChemCatChem,2013,vol. 5,p. 2905 - 2912

37
[ 15827-56-2 ]
[ 4122-68-3 ]
2-(4-chlorophenoxy)-N-[(1s,4s)-4-[2-(4-chlorophenoxy)acetamido]cyclohexyl]acetamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
71%	With potassium carbonate; In tetrahydrofuran; water; at 20℃; for 1.5h;	cis-ISRIB: 2-(4-chlorophenoxy)-N-[(ls,4s)-4-[2-(4-chlorophenoxy) acetamido ] cyclohexyl Jacetamide [0410] To a mixture of (ls,4s)-cyclohexane-l,4-diamine (21 mu, 20 mg, 0.18 mmol) in tetrahydrofuran:water (1 : 1, 1 ml) were sequentially added potassium carbonate (73 mg, 0.53 mmol) and 4-chlorophenoxyacetyl chloride (56 L, 0.36 mmol). The reaction mixture was vigorously stirred at ambient temperature for 1.5 h then partitioned between 30 mL of 1 : 1 dichloromethane:KHS04 (10 % aq.). After separating the organic layer, it was sequentially washed with water (1 x 10 ml) and brine (1 x 10 ml) then dried by gravity filtration using an Autochem 4.5 mL reaction tube. The filtrate was concentrated and loaded onto a Silicycle 4g S1O2 column using a minimal amount of dichloromethane (~2 ml). The product was eluted with acetone in dichloromethane (0% - 50%). Product-containing fractions were combined and concentrated to afford 56 mg (71%) of the title compound as a white solid. XH NMR (400 MHz, DMSO-d6) delta 7.76 (d, J= 7.0 Hz, 2H), 7.32 (d, J= 9.0 Hz, 4H), 6.94 (d, J= 9.0 Hz, 4H), 4.47 (s, 4H), 3.70 (br. s., 2H), 1.44 - 1.67 (m, 8H); LC-MS: m/z = 451 [M+H, 35C1 x 2]+, 453 [M+H, 35C1, 37C1]+.

Reference： [1]Patent: WO2014/144952,2014,A2 .Location in patent: Paragraph 0410

38
[ 106-50-3 ]
[ 2615-25-0 ]
[ 15827-56-2 ]
[ 6850-65-3 ]
[ 108-91-8 ]
[ 108-93-0 ]

Reference： [1]Russian Journal of Applied Chemistry,2014,vol. 87,p. 397 - 403
Zh. Prikl. Khim. (S.-Peterburg, Russ. Fed.),2014,vol. 87,p. 397 - 403,7

39
[ 106-50-3 ]
[ 2615-25-0 ]
[ 15827-56-2 ]

Reference： [1]Russian Journal of Applied Chemistry,2014,vol. 87,p. 397 - 403
Zh. Prikl. Khim. (S.-Peterburg, Russ. Fed.),2014,vol. 87,p. 397 - 403,7

40
[ 106-50-3 ]
[ 2615-25-0 ]
[ 15827-56-2 ]
[ 108-91-8 ]

Reference： [1]Russian Journal of Applied Chemistry,2014,vol. 87,p. 397 - 403
Zh. Prikl. Khim. (S.-Peterburg, Russ. Fed.),2014,vol. 87,p. 397 - 403,7

41
[ 15827-56-2 ]
C₁₂H₈ClN₃O [ No CAS ]
C₁₈H₂₁N₅O [ No CAS ]