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Chemical Structure| 916317-00-5 Chemical Structure| 916317-00-5

Structure of 916317-00-5

Chemical Structure| 916317-00-5

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Product Details of [ 916317-00-5 ]

CAS No. :916317-00-5
Formula : C7H16ClNO
M.W : 165.66
SMILES Code : Cl.COCC1CCNCC1
English Name :4-(Methoxymethyl)piperidine hydrochloride
MDL No. :MFCD08062602
InChI Key :FLRDPZJPRQWKLD-UHFFFAOYSA-N
Pubchem ID :17218599

Safety of [ 916317-00-5 ]

Computational Chemistry of [ 916317-00-5 ] Show Less

Physicochemical Properties

Num. heavy atoms 10
Num. arom. heavy atoms 0
Fraction Csp3 1.0
Num. rotatable bonds 2
Num. H-bond acceptors 2.0
Num. H-bond donors 1.0
Molar Refractivity 48.42
TPSA ?

Topological Polar Surface Area: Calculated from
Ertl P. et al. 2000 J. Med. Chem.

21.26 Ų

Lipophilicity

Log Po/w (iLOGP)?

iLOGP: in-house physics-based method implemented from
Daina A et al. 2014 J. Chem. Inf. Model.

0.0
Log Po/w (XLOGP3)?

XLOGP3: Atomistic and knowledge-based method calculated by
XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry

1.2
Log Po/w (WLOGP)?

WLOGP: Atomistic method implemented from
Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.

1.05
Log Po/w (MLOGP)?

MLOGP: Topological method implemented from
Moriguchi I. et al. 1992 Chem. Pharm. Bull.
Moriguchi I. et al. 1994 Chem. Pharm. Bull.
Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.

0.9
Log Po/w (SILICOS-IT)?

SILICOS-IT: Hybrid fragmental/topological method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

1.38
Consensus Log Po/w?

Consensus Log Po/w: Average of all five predictions

0.91

Water Solubility

Log S (ESOL):?

ESOL: Topological method implemented from
Delaney JS. 2004 J. Chem. Inf. Model.

-1.49
Solubility 5.35 mg/ml ; 0.0323 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Very soluble
Log S (Ali)?

Ali: Topological method implemented from
Ali J. et al. 2012 J. Chem. Inf. Model.

-1.24
Solubility 9.47 mg/ml ; 0.0572 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Very soluble
Log S (SILICOS-IT)?

SILICOS-IT: Fragmental method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

-1.58
Solubility 4.33 mg/ml ; 0.0261 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Soluble

Pharmacokinetics

GI absorption?

Gatrointestinal absorption: according to the white of the BOILED-Egg

High
BBB permeant?

BBB permeation: according to the yolk of the BOILED-Egg

Yes
P-gp substrate?

P-glycoprotein substrate: SVM model built on 1033 molecules (training set)
and tested on 415 molecules (test set)
10-fold CV: ACC=0.72 / AUC=0.77
External: ACC=0.88 / AUC=0.94

No
CYP1A2 inhibitor?

Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.83 / AUC=0.90
External: ACC=0.84 / AUC=0.91

No
CYP2C19 inhibitor?

Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.80 / AUC=0.86
External: ACC=0.80 / AUC=0.87

No
CYP2C9 inhibitor?

Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set)
and tested on 2075 molecules (test set)
10-fold CV: ACC=0.78 / AUC=0.85
External: ACC=0.71 / AUC=0.81

No
CYP2D6 inhibitor?

Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set)
and tested on 1068 molecules (test set)
10-fold CV: ACC=0.79 / AUC=0.85
External: ACC=0.81 / AUC=0.87

No
CYP3A4 inhibitor?

Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set)
and tested on 2579 molecules (test set)
10-fold CV: ACC=0.77 / AUC=0.85
External: ACC=0.78 / AUC=0.86

No
Log Kp (skin permeation)?

Skin permeation: QSPR model implemented from
Potts RO and Guy RH. 1992 Pharm. Res.

-6.46 cm/s

Druglikeness

Lipinski?

Lipinski (Pfizer) filter: implemented from
Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev.
MW ≤ 500
MLOGP ≤ 4.15
N or O ≤ 10
NH or OH ≤ 5

0.0
Ghose?

Ghose filter: implemented from
Ghose AK. et al. 1999 J. Comb. Chem.
160 ≤ MW ≤ 480
-0.4 ≤ WLOGP ≤ 5.6
40 ≤ MR ≤ 130
20 ≤ atoms ≤ 70

None
Veber?

Veber (GSK) filter: implemented from
Veber DF. et al. 2002 J. Med. Chem.
Rotatable bonds ≤ 10
TPSA ≤ 140

0.0
Egan?

Egan (Pharmacia) filter: implemented from
Egan WJ. et al. 2000 J. Med. Chem.
WLOGP ≤ 5.88
TPSA ≤ 131.6

0.0
Muegge?

Muegge (Bayer) filter: implemented from
Muegge I. et al. 2001 J. Med. Chem.
200 ≤ MW ≤ 600
-2 ≤ XLOGP ≤ 5
TPSA ≤ 150
Num. rings ≤ 7
Num. carbon > 4
Num. heteroatoms > 1
Num. rotatable bonds ≤ 15
H-bond acc. ≤ 10
H-bond don. ≤ 5

1.0
Bioavailability Score?

Abbott Bioavailability Score: Probability of F > 10% in rat
implemented from
Martin YC. 2005 J. Med. Chem.

0.55

Medicinal Chemistry

PAINS?

Pan Assay Interference Structures: implemented from
Baell JB. & Holloway GA. 2010 J. Med. Chem.

0.0 alert
Brenk?

Structural Alert: implemented from
Brenk R. et al. 2008 ChemMedChem

0.0 alert: heavy_metal
Leadlikeness?

Leadlikeness: implemented from
Teague SJ. 1999 Angew. Chem. Int. Ed.
250 ≤ MW ≤ 350
XLOGP ≤ 3.5
Num. rotatable bonds ≤ 7

No; 1 violation:MW<1.0
Synthetic accessibility?

Synthetic accessibility score: from 1 (very easy) to 10 (very difficult)
based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties,
trained on 12'782'590 molecules and tested on 40 external molecules (r2 = 0.94)

1.21

Application In Synthesis of [ 916317-00-5 ]

* 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 [ 916317-00-5 ]

[ 916317-00-5 ] Synthesis Path-Downstream   1~14

  • 1
  • [ 955930-51-5 ]
  • [ 916317-00-5 ]
  • [ 955928-20-8 ]
YieldReaction ConditionsOperation in experiment
With triethylamine; 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride In tetrahydrofuran; methanol at 20℃; 26 Example 26 3'-({4-[(3,5-Dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy)methyl)-2-methylbiphenyl-4-carboxylic acid (10.8 mg) was dissolved in a THF-methanol [1 ml, 4:1 (v/v)] mixed solution, and the solution was added to 4-(methoxymethyl)piperidine hydrochloride (7.5 mg). DMT-MM (12 mg) and triethylamine (20 µl) were added, followed by overnight stirring at room temperature. Thereafter, chloroform was added to the reaction liquid, and the organic layer was washed with 1 M hydrochloric acid. The organic layer was concentrated, and the residue was purified by a fractional HPLC (Waters, product name: Waters SunFire Prep C18OBD (1.9 x 100 mm, 5 µm)) to obtain 2-{4-[(4'-[4-(methoxymethyl)piperidin-1-yl]carbonyl)-2'-methylbiphenyl-3-yl)methoxy]benzyl}-1,2,4-oxadiazolidine-3,5-dione (9.0 mg).
  • 2
  • [ 1189852-16-1 ]
  • [ 916317-00-5 ]
  • [ 76-05-1 ]
  • [ 1190045-94-3 ]
YieldReaction ConditionsOperation in experiment
47% Stage #1: N-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide; 4-(methoxymethyl)piperidine hydrochloride In N,N-dimethyl-formamide at 100℃; for 1h; Stage #2: With triethylamine In N,N-dimethyl-formamide at 80℃; for 8h; Stage #3: trifluoroacetic acid In water; acetonitrile HPLC; 240 N-(7-chloro-2-methylpyrazolo[ 1 ,5-α]pyrimidin-5-yl)-4-(2-hydroxypropan-2- yl)benzamide (2F, 0.05g, 1.0 equivalent) and 4-(methoxymethyl)piperidine HCl salt (1.6 equivalents) in DMF (0.1M) was heated to 100 0C for Ih. Then Et3N (6.0 equivalents) was added and the mixture was heated to 80 0C for 8 h. The solvent was removed in vacuo and the crude mixture was purified by preparatory HPLC (20-45% ACN/water, TFA mode) to afford the TFA salt of the titled compound 226 (47%) as a beige solid. 1H NMR (400 MHz, DMSO-J6) δ ppm l.39 (dd, J=12.38, 3.54 Hz, 2 H) 1.44 (s, 6 H) 1.81 (d, J= 16.42 Hz, 2 H) 1.89 (br. s., 1 H) 2.36 (s, 3 H) 2.94 - 3.10 (m, 2 H) 3.24 (s, 2 H) 3.26 (s, 3 H) 4.44 (br. s., 2 H) 6.14 (s, 1 H) 7.30 (s, 1 H) 7.59 (m, 2 H) 7.98 (m, 2 H) 10.81 (s, 1 H); ESI-MS: m/z 438.2 (M+H)+.
  • 3
  • [ 123855-51-6 ]
  • [ 74-88-4 ]
  • [ 916317-00-5 ]
YieldReaction ConditionsOperation in experiment
41% Stage #1: tert-butyl 4-(hydroxymethyl)piperidin-1-carboxylate With sodium hydride In tetrahydrofuran; mineral oil at 25℃; for 1h; Stage #2: methyl iodide In tetrahydrofuran; mineral oil at 20℃; for 20h; Stage #3: With hydrogenchloride In 1,4-dioxane for 20h; 94.a EXAMPLE 94A/-methyl-4-{4-[(methyloxy)methyl]-1-piperidinyl}-3-(1 /-/-purin-6- ylamino)benzenesulfonamidea) 4-[(methyloxy)methyl]piperidine hydrochlorideTo a solution of 1 , 1 -dimethylethyl 4-(hydroxymethyl)-1 -piperidinecarboxylate (1 .0 g, 4.64 mmol) in THF (20 mL) was added NaH (60% dispersion in oil, 0.279 g, 6.97 mmol). After the mixture was stirred at 25 °C for 1 h, iodomethane (0.581 mL, 9.29 mmol) was added. The mixture was stirred at rt for 20 h, concentrated, and purified by flash column chromatography (5-80% EtOAc/hexanes) to afford a colorless oil which was redissolved into CH2CI2 (5 mL) and treated with 2 M HCI in 1 ,4-dioxane (1 1 .61 mL, 23.22 mmol). The mixture was stirred for another 20 h and concentrated to afford the title compound (313.5 mg, 41 %) as a white solid. LCMS (ES) m/z 130 (M+H)+; 1H NMR (400 MHz, DMSO-de) δ ppm 1 .28 - 1 .48 (m, 2 H) 1 .67 - 1 .85 (m, 3 H) 2.81 (br. s, 2 H) 3.17 (d, J=6.32 Hz, 3 H) 3.19 - 3.27 (m, 4 H) 8.94 (br. s, 1 H) 9.21 (br. s, 1 H).
  • 4
  • [ 916317-00-5 ]
  • [ 1351089-38-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: triethylamine / 20 h / 110 °C / Sealed vessel 2: hydrogen / palladium on activated charcoal / ethanol / 0.67 h / 1810.07 Torr 3: acetic acid / 1,4-dioxane / 20 h / 110 °C / Sealed tube
  • 5
  • [ 916317-00-5 ]
  • [ 1351094-57-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: triethylamine / 20 h / 110 °C / Sealed vessel 2: hydrogen / palladium on activated charcoal / ethanol / 0.67 h / 1810.07 Torr
  • 6
  • [ 1041598-53-1 ]
  • [ 916317-00-5 ]
  • [ 1351094-56-8 ]
YieldReaction ConditionsOperation in experiment
75% With triethylamine at 110℃; for 20h; Sealed vessel; 94.b b) A/-methyl-4-{4-[(methyloxy)meth l]-1-piperidinyl}-3-nitrobenzenesulfonamideTo a solution of 4-fluoro-/V-methyl-3-nitrobenzenesulfonamide (150 mg, 0.64 mmol) and Et3N (1.92 mmol) was added 4-[(methyloxy)methyl]piperidine hydrochloride (127 mg, 0.77 mmol). The reaction vessel was sealed and heated at 1 10 °C for 20 h. The mixture was concentrated and purified by flash column chromatography (5-80%EtOAc/hexanes) to afford the title compound (164.1 mg, 75%) as a yellow oil. LCMS (ES) m/z 344 (M+H)+; 1H NMR (400 MHz, DMSO-d6) δ ppm 1.30 (d, J=1 1 .62 Hz, 2 H) 1.73 (d, J=12.88 Hz, 3 H) 2.41 (d, J=5.05 Hz, 3 H) 2.98 (br. s, 2 H) 3.18 - 3.28 (m, 5 H) 3.39 (br. s, 2 H) 7.42 (d, J=8.84 Hz, 1 H) 7.48 (d, J=5.05 Hz, 1 H) 7.79 (dd, J=8.84, 2.27 Hz, 1 H) 8.1 1 (d, J=2.02 Hz, 1 H).
  • 7
  • [ 1437774-97-4 ]
  • [ 916317-00-5 ]
  • [ 1437774-98-5 ]
YieldReaction ConditionsOperation in experiment
180 mg With triethylamine In ethanol at 55℃; for 2h; Y.1.iii iii) 2-[5-(4-fluorophenyl)-4-[4-(methoxymethyl)- 1 -piperidyl]thieno[2,3-d]pyrimidin-2- yl] ethanol iii) 2-[5-(4-fluorophenyl)-4-[4-(methoxymethyl)- 1 -piperidyl]thieno[2,3-d]pyrimidin-2- yl] ethanol2-[4-Chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-2-yl]ethanol (150 mg, 0.0005 mol), triethylamine (0.214 mL, 0.00154 mol) and 4-(methoxymethyl)piperidine hydrochloride (0.091 g, 0.00055 mol) were dissolved in ethanol (5 mL) and warmed to 55 °C for 2 hrs. The reaction was then poured over ice and extracted with DCM. The organics were dried by passage through a PTFE frit and concentrated in vacuo to give 2-[5-(4-fluorophenyl)-4-[4- (methoxymethyl)-l-piperidyl]thieno[2,3-d]pyrimidin-2-yl] ethanol (180 mg). LCMS RT = 4.33min. M+l = 402.
  • 8
  • [ 916317-00-5 ]
  • [ 111658-27-6 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
With triethylamine In ethanol at 65 - 150℃; for 6.16h; Microwave irradiation; Y.2.i i) 2-[4-[4-(methoxymethyl)- 1 -piperidyl]-5-phenyl-thieno[2,3-d]pyrimidin-2yl]acetic acid i) 2-[4-[4-(methoxymethyl)- 1 -piperidyl]-5-phenyl-thieno[2,3-d]pyrimidin-2yl]acetic acidEthyl 2-(4-chloro-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)acetate (100 mg, 0.285 mmol), 4- (methoxymethyl)piperidine hydrochloride (52 mg, 0.314 mmol) and triethylamine (0.12 mL, 0.85 mmol) were dissolved in ethanol (4 mL) and heated to 65 °C for 6 hrs. The reaction was then heated to 150 °C in a microwave for 10 min. The reaction was poured over ice and ectracted with DCM. The extracts were combined and concentrated in vacuo. The residue was dissolved in non-dry THF (2 mL) and lithium hydroxide monohydrate (48 mg) was added. The reaction was stirred at room temperature overnight then another portion of lithium hydroxide monohydrate was added (10 mg) and the reaction stirred for a further 2 hrs. The reaction mixture was purified on an Isolute NH2 SPE column (eluting ammonia in methanol) to give 2-[4-[4-(methoxymethyl)-l-piperidyl]-5-phenyl-thieno[2,3-d]pyrimidin- 2yl] acetic acid (107 mg).
  • 9
  • [ 888711-44-2 ]
  • [ 916317-00-5 ]
  • [ 2094979-54-9 ]
YieldReaction ConditionsOperation in experiment
With potassium hydrogencarbonate; potassium iodide In tetrahydrofuran at 80℃; for 4h; Inert atmosphere; Synthesis of intermediate BF01: potassium -(methoxymethyl)piperidin-1-yljmethyl}borate 4-(Methoxymethyl)piperidine hydrochloride ([916317-00-5], 1.0 g, 6.03 mmol), potassium bromomethyl trifluoroborate (1.21 g, 6.03 mmol), KHCO3 (1.2 g, 12.1 mmol) and KI (100 mg, 0.6 mmol) were stirred under N2 in dry THF (8 mL) at 80 °C for 4 hours. The reaction mixture was cooled to room temperature and concentrated in vacuo. The residue was suspended in dry acetone and filtered. The filtrate was treated with diethyl ether, and the resulting precipitate was collected by filtration and dried to afford the titled compound, which was used as such in the next step.
With potassium hydrogencarbonate; potassium iodide In tetrahydrofuran at 80℃; for 4h; Inert atmosphere; Synthesis of intermediate BF01: potassium -(methoxymethyl)piperidin-1-yl]methyl}borate 4-(Methoxymethyl)piperidine hydrochloride ([916317-00-5], 1.0 g, 6.03 mmol,), potassium bromomethyl trifluoroborate (1.21 g, 6.03 mmol), KHCO3 (1.2 g, 12.1 mmol) and KI (100 mg, 0.6 mmol) were stirred under N2 in dry THF (8 mL) at 80° C. for 4 hours. The reaction mixture was cooled to room temperature and concentrated in vacuo. The residue was suspended in dry acetone and filtered. The filtrate was treated with diethyl ether, and the resulting precipitate was collected by filtration and dried to afford the titled compound, which was used as such in the next step.
  • 10
  • [ CAS Unavailable ]
  • [ 916317-00-5 ]
  • [ 2093979-21-4 ]
YieldReaction ConditionsOperation in experiment
With N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide at 100℃; for 20h; Illustrative synthesis of E092: methyl 1-(4-fluorophenyl)-3-isopropyl-4-[4-(methoxymethyl)-1-piperidyl]pyrazolo[3,4-b]pyridine-6-carboxylate General procedure: A mixture of HP05 (6.71 g, 19.29 mmol, 1.0 equiv), 4-(methoxymethyl)piperidine hydrochloride (CAS 916317-00-5, 6.39 g, 38.58 mmol, 2 equiv) and DIPEA (10.1 mL, 57.88 mmol, 3 equiv) in anhydrous DMSO (65 mL) was heated at 100° C. for 20 h. The reaction mixture was cooled to RT, partitioned between ethyl acetate (300 mL) and a mixture of water and a saturated solution of NaCl 1:1 (300 mL). The two phases were separated, and the aqueous phase was extracted with ethyl acetate (150 mL). The combined organic phases were washed with brine, dried over MgSO4, filtered and concentrated in vacuo. The crude mixture was purified by flash chromatography on silica gel eluting with n-heptane/ethyl acetate to afford the titled compound
  • 11
  • [ 89979-13-5 ]
  • [ 916317-00-5 ]
  • [ 2093987-68-7 ]
YieldReaction ConditionsOperation in experiment
Stage #1: 4-(methoxymethyl)piperidine hydrochloride With N-ethyl-N,N-diisopropylamine In dichloromethane for 0.0833333h; Cooling with ice; Inert atmosphere; Stage #2: benzyl N-chlorosulfonylcarbamate In dichloromethane at 20℃; for 3h; 2 Step 2: benzyl [4-(methoxymethyl)piperidine-1-sulfonyl] carbamate A solution of 4-(methoxymethyl)piperidine hydrochloride ([399580-55-3], 1.0 g, 6.0 mmol) and N,N-diisopropylethylamine (2.3 mL, 13.3 mmol) in anhydrous DCM (10 mL) was cooled down in an ice bath under an argon atmosphere. Benzyl (chlorosulfonyl)carbamate from Step 1 (1.8 g, 7.2 mmol) was added and after 5 minutes, and the solution was allowed to warm up to RT. After 3 hours, water (10 mL) and DCM (10 mL) were added, and stirring was continued for 15 minutes. The organic phase was separated, washed successively with an aqueous 1 M HCl solution (2 x 10 mL), and a saturated aqueous solution of NaCl (10 mL). The organic phase was dried over magnesium sulfate, filtered and concentrated in vacuo. The residue was purified by flash column chromatography eluting with a gradient of DCM/MeOH to give the titled compound.
  • 12
  • [ 2093979-08-7 ]
  • [ 916317-00-5 ]
  • [ 2093979-21-4 ]
YieldReaction ConditionsOperation in experiment
With N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide at 100℃; for 20h; Synthesis of E092: methyl 1-(4-fluorophenyl)-3-isopropyl-4-[4-(methoxymethyl)-1-piperidyl]pyrazolo[3,4-b]pyridine-6-carboxylate A mixture of HP05 (6.71g, 19.29 mmol, 1.0 equiv), 4-(methoxymethyl)piperidine hydrochloride (CAS 916317-00-5, 6.39g, 38.58 mmol, 2 equiv) and DIPEA (10.1 mL, 57.88 mmol, 3 equiv) in anhydrous DMSO (65 mL) was heated at 100 °C for 20 h. The reaction mixture was cooled to RT, partitioned between ethyl acetate (300 mL) and a mixture of water and a saturated solution of NaCl 1 : 1 (300 mL). The two phases were separated, and the aqueous phase was extracted with ethyl acetate (150 mL). The combined organic phases were washed with brine, dried over MgSO4, filtered and concentrated in vacuo. The crude mixture was purified by flash chromatography on silica gel eluting with n-heptane/ethyl acetate to afford the titled compound.
  • 13
  • [ 916317-00-5 ]
  • [ 2093982-83-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: potassium iodide; potassium hydrogencarbonate / tetrahydrofuran / 4 h / 80 °C / Inert atmosphere 2: caesium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / tetrahydrofuran; water / 80 °C / Inert atmosphere
  • 14
  • [ 916317-00-5 ]
  • [ 108-90-7 ]
  • [ 2415672-07-8 ]
YieldReaction ConditionsOperation in experiment
71% With methanesulfonato(2-dicyclohexylphosphino-2’,6’-di-i-propoxy-1,1’-biphenyl)(2’-methylamino-1,1‘-biphenyl-2-yl)palladium(II); sodium t-butanolate; ruphos In tetrahydrofuran at 85℃; for 24h; Inert atmosphere; Glovebox;
 

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Technical Information

Categories

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