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[ CAS No. 610-16-2 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 610-16-2
Chemical Structure| 610-16-2
Chemical Structure| 610-16-2
Structure of 610-16-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 610-16-2 ]

CAS No. :610-16-2 MDL No. :MFCD00016496
Formula : C9H11NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :DVVXXHVHGGWWPE-UHFFFAOYSA-N
M.W : 165.19 Pubchem ID :69118
Synonyms :

Calculated chemistry of [ 610-16-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.22
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 47.61
TPSA : 40.54 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.07 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.54
Log Po/w (XLOGP3) : 1.75
Log Po/w (WLOGP) : 1.45
Log Po/w (MLOGP) : 1.64
Log Po/w (SILICOS-IT) : 0.78
Consensus Log Po/w : 1.43

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.2
Solubility : 1.03 mg/ml ; 0.00624 mol/l
Class : Soluble
Log S (Ali) : -2.22
Solubility : 0.999 mg/ml ; 0.00605 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.87
Solubility : 2.21 mg/ml ; 0.0134 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 610-16-2 ]

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

Application In Synthesis of [ 610-16-2 ]

* 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.

  • Downstream synthetic route of [ 610-16-2 ]

[ 610-16-2 ] Synthesis Path-Downstream   1~100

  • 1
  • [ 186581-53-3 ]
  • [ 60-29-7 ]
  • [ 610-16-2 ]
  • [ 10072-05-6 ]
  • 2
  • [ 186581-53-3 ]
  • [ 610-16-2 ]
  • [ 10072-05-6 ]
  • 3
  • [ 186581-53-3 ]
  • [ 610-16-2 ]
  • [ 10072-05-6 ]
  • [ 21864-63-1 ]
  • 4
  • [ 917-64-6 ]
  • [ 610-16-2 ]
  • [ 10336-55-7 ]
  • 5
  • [ 2216-51-5 ]
  • [ 610-16-2 ]
  • <i>N</i>,<i>N</i>-dimethyl-anthranilic acid-((1<i>R</i>)-menthyl ester) [ No CAS ]
  • 6
  • [ 610-16-2 ]
  • <i>N</i>,<i>N</i>-dimethyl-anthranilic acid-((1<i>R</i>)-menthyl ester) [ No CAS ]
  • 7
  • [ 10072-05-6 ]
  • [ 610-16-2 ]
  • 8
  • [ 141-52-6 ]
  • [ 21864-63-1 ]
  • [ 610-16-2 ]
  • 11
  • [ 64-17-5 ]
  • [ 118-92-3 ]
  • furan-2,3,5(4H)-trione pyridine (1:1) [ No CAS ]
  • [ 74-88-4 ]
  • [ 610-16-2 ]
  • [ 119-68-6 ]
  • 12
  • [ 118-92-3 ]
  • [ 74-88-4 ]
  • [ 610-16-2 ]
  • 13
  • [ 60-29-7 ]
  • [ 925-90-6 ]
  • [ 121-69-7 ]
  • [ 610-16-2 ]
  • 14
  • [ 543-59-9 ]
  • [ 121-69-7 ]
  • [ 610-16-2 ]
  • 15
  • [ 925-90-6 ]
  • [ 121-69-7 ]
  • [ 610-16-2 ]
  • 16
  • [ 610-16-2 ]
  • [ 100-37-8 ]
  • <i>N</i>,<i>N</i>-dimethyl-anthranilic acid-(2-diethylamino-ethyl ester) [ No CAS ]
Reference: [1]Patent: DE172447,
  • 17
  • [ 610-16-2 ]
  • [ 6325-22-0 ]
  • [ 52068-86-7 ]
  • 18
  • [ 610-16-2 ]
  • [ 61629-90-1 ]
  • 3-{4-[2-(2-Dimethylamino-benzoylamino)-ethyl]-phenyl}-propionic acid [ No CAS ]
  • 19
  • [ 610-16-2 ]
  • [ 41621-85-6 ]
  • 2-Dimethylamino-benzoic acid (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-acetoxy-3-acetoxymethyl-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl ester [ No CAS ]
  • 20
  • [ 610-16-2 ]
  • [ 64109-38-2 ]
YieldReaction ConditionsOperation in experiment
With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20℃; for 1h;Product distribution / selectivity; Step A:; To an ice-cooled solution of 2-dimethylaminobenzoic acid (354 mg, 2.14 mmol) in dichloromethane (15 mL) was added oxalyl chloride (0.18 mL, 2.14 mmol) dropwise, then the reaction mixture was stirred at room temperature for 1 h. 2-Amino-3-hydroxybenzoic acid hydrobromide (0.50 g, 2.14 mmol) was added into the reaction mixture followed by triethylamine (1.2 mL, 8.6 mmol). The resulting reaction mixture was stirred at room temperature for 12 h, then diluted with dichloromethane, washed with brine, dried (Na2SO4), filtered and concentrated. The crude product was dissolved in toluene (15 mL) and the solution was treated with p-toluenesulfonic acid monohydrate (610 mg, 3.21 mmol). The reaction mixture was then heated to reflux overnight. The reaction was cooled down to room temperature, poured into water and extracted with ethyl acetate. The organic layer was separated then washed with water, brine, dried over Na2SO4, filtered and concentrated. The crude product was purified by column chromatography (silica gel, 9:1 to 3:1 ethyl acetate/methanol) to afford the desired product (0.64 g, quantitative) as a yellow solid: 1H NMR (500 MHz, DMSO-d6) delta 7.92-7.78 (m, 3H), 7.52-7.48 (m, 1H), 7.43 (t, J=7.5 Hz, 1H), 7.16-7.08 (m, 1H), 7.05-6.96 (m, 1H), 2.82 (s, 1H), 2.70 (s, 6H); MS (ESI+) m/z 283 (M+H).; Step A: To an ice-cooled solution of 2-dimethylaminobenzoic acid (439 mg, 2.66 mmol) in dichloromethane (15 mL) was added oxalyl chloride (0.23 mL, 2.66 mmol) dropwise, then the reaction mixture was stirred at room temperature for 1 h. 2-Amino-5-chloro-3-hydroxybenzoic acid (0.50 g, 2.66 mmol) was added into the reaction mixture followed by triethylamine (1.1 mL, 8.0 mmol). The resulting reaction mixture was stirred at room temperature for 12 h, then diluted with dichloromethane, washed with brine, dried (Na2SO4), filtered and concentrated. The crude product was dissolved in toluene (18 mL) and the solution was treated with p-toluenesulfonic acid monohydrate (506 mg, 2.66 mmol). The reaction mixture was then heated to reflux overnight. The reaction was cooled down to room temperature, poured into water and extracted with ethyl acetate. The organic layer was separated then washed with water, brine, dried over Na2SO4, filtered and concentrated. The crude product was purified by column chromatography (silica gel, 9:1 to 3:1 ethyl acetate/methanol) to afford the desired product (0.57 g, 68%) as a brown solid: 1H NMR (500 MHz, DMSO-d6) delta 7.92 (d, J=7.5 Hz, 1H), 7.81 (d, J=7.5 Hz, 1H), 7.67-7.57 (m, 2H), 7.35-7.28 (m, 1H), 6.99 (t, J=7.5 Hz, 1H), 2.77 (s, 1H), 2.69 (s, 6H); MS (ESI+) m/z 317 (M+H).
With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; General procedure: The carboxylicacid (1.0 equiv.) was suspended in CH2Cl2 (1.3 M), and oxalyl chloride (1.5 equiv.) was added, followed by DMF (1 drop/10 mmol substrate). Upon complete consumption of the starting acid as determined by LC-MS, the reaction mixture was concentrated. Excess oxalyl chloride was removed by azeotropic distillation with toluene to afford the corresponding acid chloride. In a separate flask, potassium ethyl malonate (1.25 equiv.), triethylamine (2.5equiv.) and MeCN (0.4 M relative to acid chloride) were cooled in a salt/ice-brinebath. Solid MgCl2 (2.5 equiv.) was added, and the resulting suspension was vigorously stirred at ~ -10 C. After one hour, the acid chloride was added at a rate to ensure dissolution into the thick suspension (acid chlorides that were oils were added in a minimal amount of MeCN). The suspension rapidly became homogenous, and the stirring rate was reduced to avoid splashing. The ice bathwas removed. Upon complete consumption of the starting material as determined by TLC analysis, the reaction mixture was cooled in an ice-water bath, and 2M HCl (6.25 equiv.) was added, and the ice bath was removed. After 30 minutes, the layers were separated, and the aqueous layer was extracted with MTBE. The combined organic layers were washed with saturated NaHCO3 and brine, dried over sodium sulfate, filtered, and concentrated to afford the beta-keto ester substrate.
  • 21
  • [ 610-16-2 ]
  • [ 124-40-3 ]
  • [ 56042-97-8 ]
  • 22
  • [ 610-16-2 ]
  • [ 160587-12-2 ]
  • 1-[1-(2-Dimethylamino-benzoyl)-piperidin-4-yl]-3,4-dihydro-1H-quinolin-2-one [ No CAS ]
  • 23
  • [ 1822-71-5 ]
  • [ 121-69-7 ]
  • petroleum ether [ No CAS ]
  • [ 610-16-2 ]
  • 24
  • [ 64-17-5 ]
  • [ 118-92-3 ]
  • [ 74-88-4 ]
  • sodium hydroxide [ No CAS ]
  • [ 610-16-2 ]
  • 27
  • [ 10072-05-6 ]
  • [ 7732-18-5 ]
  • [ 610-16-2 ]
  • 28
  • [ 610-16-2 ]
  • [ 541-41-3 ]
  • C9H10NO2C3H5O2 [ No CAS ]
  • 29
  • Phenyl 2-(dimethylamino)benzoate [ No CAS ]
  • [ 610-16-2 ]
  • [ 108-95-2 ]
  • 30
  • [ 870-46-2 ]
  • [ 610-16-2 ]
  • <i>N</i>'-(2-dimethylamino-benzoyl)-hydrazinecarboxylic acid <i>tert</i>-butyl ester [ No CAS ]
  • 31
  • [ 610-16-2 ]
  • [ 78033-18-8 ]
  • 8-(2-dimethylamino-phenyl)-3-isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione [ No CAS ]
  • 32
  • [ 118-92-3 ]
  • [ 616-38-6 ]
  • [ 610-16-2 ]
  • [ 119-68-6 ]
  • 33
  • [ 118-92-3 ]
  • [ 141814-27-9 ]
  • [ 610-16-2 ]
  • [ 119-68-6 ]
  • 34
  • [ 610-16-2 ]
  • [ 103343-47-1 ]
  • 2-dimethylamino-N-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-benzamide [ No CAS ]
  • 35
  • [ 118-92-3 ]
  • [ 77-78-1 ]
  • [ 610-16-2 ]
  • 36
  • [ 452-58-4 ]
  • [ 610-16-2 ]
  • C14H14N4 [ No CAS ]
  • 37
  • [ 610-16-2 ]
  • [ 887765-45-9 ]
  • 38
  • [ 610-16-2 ]
  • 2-tert-butyl-6-(dimethylamino)-N,N-diethylbenzamide [ No CAS ]
  • 39
  • [ 610-16-2 ]
  • 2-sec-butyl-6-(dimethylamino)-N,N-diethylbenzamide [ No CAS ]
  • 40
  • [ 610-16-2 ]
  • [ 88132-08-5 ]
  • 41
  • [ 610-16-2 ]
  • [ 86601-75-4 ]
  • 42
  • [ 610-16-2 ]
  • 2-Dimethylamino-benzoic acid [1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-hydrazide [ No CAS ]
  • 43
  • [ 610-16-2 ]
  • 1-[5-(2-dimethylamino-phenyl)-2-(3,4,5-trimethoxy-phenyl)-[1,3,4]oxadiazol-3-yl]-ethanone [ No CAS ]
  • 44
  • [ 610-16-2 ]
  • [ 315179-53-4 ]
  • 45
  • [ 610-16-2 ]
  • [ 315179-50-1 ]
  • 46
  • [ 610-16-2 ]
  • (1R,2R)-N-{2-[2-(dimethylamino)benzoylamino]cyclohexyl}-2-(diphenylphospanyl)benzamide [ No CAS ]
  • 47
  • [ 610-16-2 ]
  • 2-Dimethylamino-benzoic acid (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-acetoxy-4a,7b-dihydroxy-3-hydroxymethyl-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl ester [ No CAS ]
  • 48
  • [ 610-16-2 ]
  • [ 56042-99-0 ]
  • 50
  • [ 610-16-2 ]
  • C19H23N3O5S [ No CAS ]
  • 51
  • [ 610-16-2 ]
  • [ 52068-89-0 ]
  • 52
  • [ 610-16-2 ]
  • C22H30N4O4S [ No CAS ]
  • 53
  • [ 610-16-2 ]
  • C23H30N4O4S [ No CAS ]
  • 54
  • [ 610-16-2 ]
  • [ 52068-87-8 ]
  • 55
  • [ 610-16-2 ]
  • C24H32N4O4S [ No CAS ]
  • 56
  • [ 610-16-2 ]
  • [ 52068-91-4 ]
  • 57
  • [ 610-16-2 ]
  • [ 52068-90-3 ]
  • 58
  • [ 610-16-2 ]
  • [ 52068-88-9 ]
  • 59
  • [ 610-16-2 ]
  • C25H32N4O4S [ No CAS ]
  • 60
  • [ 610-16-2 ]
  • C25H28N4O4S [ No CAS ]
  • 61
  • [ 610-16-2 ]
  • C26H30N4O4S [ No CAS ]
  • 62
  • [ 610-16-2 ]
  • C24H31ClN4O4S [ No CAS ]
  • 63
  • [ 610-16-2 ]
  • C26H36N4O4S [ No CAS ]
  • 64
  • [ 610-16-2 ]
  • [ 52068-92-5 ]
  • 65
  • [ 610-16-2 ]
  • C26H34N4O4S [ No CAS ]
  • 66
  • [ 610-16-2 ]
  • C26H34N4O4S [ No CAS ]
  • 67
  • tert-butyl 6-[2-(4-aminophenoxy)ethyl]-2-pyridinylcarbamate [ No CAS ]
  • [ 610-16-2 ]
  • [ 689157-26-4 ]
YieldReaction ConditionsOperation in experiment
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In DMF (N,N-dimethyl-formamide); at 20℃; for 16h; To a solution of tert-butyl 6- [2- (4-AMINOPHENOXY) ETHYL]- 2-pyridinylcarbamate (458 mg), 2- (dimethylamino) benzoic acid (253 mg) and 1-hydroxybenzotriazole (256 mg) in N, N- dimethylformamide (10 ml) was added 1- [3- (dimethylamino) PROPYL]-3-ETHYLCARBODIIMIDE hydrochloride (320 mg), followed by triethylamine (0.29 ml) at ambient temperature. The reaction mixture was stirred at the same temperature for 16 hours and concentrated in vacuo. The residue was dissolved in ethyl acetate and water, and extracted with ethyl acetate. The organic layer was washed with water and brine, dried over magnesium sulfate, filtered and concentrated in vacuo. The residue was purified by column chromatography on silica gel eluting with hexane: ethyl acetate (4: 1 v/v) to give tert-butyl 6- [2- (4- { [2- (dimethylamino) benzoyl] amino) phenoxy) ETHYL-2- pyridinylcarbamate (549 mg) as a pale yellow foam. 1H-NMR (CDCL3) : 8 1.51 (9H, s), 2.82 (6H, s), 3.12 (2H, t, J=6.7 HZ), 4.31 (2H, t, J=6.7 Hz), 6.88-6. 92 (3H, m), 7.21-7. 30 (3H, m), 7.43-7. 50 (1H, m), 7.54-7. 64 (3H, m), 7.77 (1H, d, J=8.2 Hz), 8.25 (1H, dd, J=7.9 Hz, 1.6 Hz), 11.98 (1H, s) (+) ESI-MS (m/z): 477 (M+H) +
  • 68
  • [ 537715-07-4 ]
  • [ 610-16-2 ]
  • [ 689167-66-6 ]
YieldReaction ConditionsOperation in experiment
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In DMF (N,N-dimethyl-formamide); at 20℃; for 1h; To a solution of N- [2- (6-AMINO-3, 4-dihydroisoquinolin- 2 (LH)-YL) ethyl] acetamide (331.6 mg), 2- (dimethylamino) benzoic acid (280 mg) and 1-hydroxybenzotriazole (261 mg) in N, N- dimethylformamide (3.3 ml) was added 1- [3- (dimethylamino) PROPYL]-3-ETHYLCARBODIIMIDE hydrochloride (WSC"HC1) (327 mg), followed by triethylamine (0.296 ml) at ambient temperature. The reaction mixture was stirred for an hour at ambient temperature and concentrated in vacuo. The residue was dissolved in ethyl acetate and water, and extracted with ethyl acetate. The organic layer was washed with water and brine, dried over magnesium sulfate, filtered and concentrated in vacuo. The residue was purified by column chromatography on silica gel eluting with chloroform: methanol (95: 5) to give N- {2- [2- (ACETYLAMINO) ethyl] -1,2, 3,4-tetrahydro- 6-isoquinolinyl}-2- (dimethylamino) benzamide (0.505 g) as a pale yellow foam. 1H-NMR (CDCL3) : 8 1. 97 (3H, s), 2.66 (2H, t, J=5.9 Hz), 2. 76 (2H, t, J=5.7 Hz), 2.83 (6H, s), 2.94 (2H, t, J=5.7 Hz), 3.44 (2H, q, J=5.9 Hz), 3.62 (2H, s), 6.17 (1H, br s), 7.02 (1H, d, J=8.1 Hz), 7.23-7. 35 (3H, m), 7.48 (1H, ddd, J=7.8, 5.1, 1.6 Hz), 7.61 (1H, d, J=1.9 Hz), 8.25 (1H, dd, J=7. 6,1. 1 Hz), 12.08 (1H, s) ESI-MS (m/z): 381 (M+H) +
  • 69
  • [ 610-16-2 ]
  • [ 128069-46-5 ]
YieldReaction ConditionsOperation in experiment
34.9% EXAMPLE 97 2-(3-Dimethylaminophenyl)-5,6,7,8-tetrahydro-4H-thiazolo [5,4-b]azepine The title compound was obtained by reacting 2-dimethylaminobenzoic acid, 3-amino-epsilon-caprolactam and phosphorus pentasulfide in the method described in Example 18. Yield 34.9% m.p. 164-166 (recrystallized from ethyl acetate). IR(KBr)cm-1: 3228, 1599, 1557, 1502, 1436, 1371, 1356, 1267. NMR(CDCl3)delta: 1.69(2H,m), 1.83(2H,m), 2.95(2H,t), 3.10(2H,t), 2.99(6H,s), 6.71(1H,d), 7.04-7.29(3H,m). Elemental analysis for C15 H19 N3 S. Calculated: C, 65.90; H, 7.00; N, 15.37; S, 11.73. Found: C, 66.06; H, 6.99; N, 15.32; S, 11.86.
  • 70
  • [ 610-16-2 ]
  • [ 1262-21-1 ]
  • [ 91239-80-4 ]
  • 71
  • [ 610-16-2 ]
  • [ 76-87-9 ]
  • [ 91239-80-4 ]
  • 72
  • [ 68949-09-7 ]
  • [ 610-16-2 ]
  • [ 7732-18-5 ]
  • aluminum trihydroxide [ No CAS ]
  • [LiAl2(OH)6](2-dimethylaminobenzoate)*3H2O [ No CAS ]
  • 73
  • [ 610-16-2 ]
  • 1-(1H-indol-3-yl)-2-(piperazin-1-yl)ethane-1,2-dione [ No CAS ]
  • [ 1190754-56-3 ]
  • 74
  • [ 610-16-2 ]
  • [ 613-94-5 ]
  • C16H17N3O2 [ No CAS ]
  • 75
  • AuOH(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene) [ No CAS ]
  • [ 610-16-2 ]
  • [(Me2NC6H4)Au(1,3-bis(2,6-diisopropyl)phenyl-imidazol-2-ylidene)] [ No CAS ]
  • 76
  • [ 610-16-2 ]
  • C17H14FN7O*ClH [ No CAS ]
  • C26H23FN8O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
37.7% With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine;dmap; In acetonitrile; Compound 1-222[00451] Compound 1-222 was synthesized as a solid (37.7%) via the coupling of Compound 1-149 (1 equiv), 0-(7-Azabenzotriazol-l-yl)-N,NJN'N'-tetramethyluroniumhexafluorophospliate (2 equiv), 2-(dimethylamino)benzoic acid (2 equiv) and Hunig's base (2 equiv) with a catalytic amount of dimemylan inopyridine in acetonitrile. Purification was achieved by precipitation from a 1:1 solution of ethyl ether and water. "H NMR (400 MHz, CD3OD) 8.76 (d, IH), 8.52 (s, IH), 7.96 (dd, IH), 7.52 (dt, IH), 7.45 (s, IH), 7.41 (d, IH), 7.21 - 7.28 (m, 2H), 7.02 - 7.12 (m, 2H), 6.84 - 6.88 (m, 2H), 5.97 (s, 2H), 2.84 (s, 6H).
  • 77
  • [ 610-16-2 ]
  • [ 108-95-2 ]
  • Phenyl 2-(dimethylamino)benzoate [ No CAS ]
  • 78
  • 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-piperidin-4-ylamine [ No CAS ]
  • [ 610-16-2 ]
  • [ 1383341-05-6 ]
YieldReaction ConditionsOperation in experiment
With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20℃; To a mixture of l-(7H-pyrrolo[2,3-JJpyrirmdin-4-yl)-4-piperidinarr^ D2 (65.2 mg), 2- (dimethylamino)benzoic acid (74.3 mg, 0.450 mmol), EDC (103 mg, 0.450 mmol) and HOAt (12.25 mg, 0.090 mmol) in DMF (1.5 mL) was added DIPEA (131 L, 0.750 mmol). The reaction mixture was stirred overnight at room temperature then solvent was removed in vacuo. The crude mixture was purified by MDAP using a formic acid method to afford E5 (48.5 mg), NMR (
  • 80
  • [ 610-16-2 ]
  • potassium o-(dimethylamino)benzoate [ No CAS ]
  • 81
  • [ 610-16-2 ]
  • [ 1418290-19-3 ]
  • [ 1418290-15-9 ]
  • 95
  • [ 610-16-2 ]
  • (-)-menthyl 2-(2-(2-(2-(dimethylamino)benzamido)-N-methylacetamido)-3-methylbutanamido)benzoate [ No CAS ]
  • 96
  • [ 610-16-2 ]
  • 2-(2-(2-(2-(dimethylamino)benzamido)-N-methylacetamido)-3-methylbutanamido)benzoic acid [ No CAS ]
  • 97
  • [ 610-16-2 ]
  • [ 2462-31-9 ]
  • [ 1418290-20-6 ]
  • 98
  • [ 50-00-0 ]
  • [ 610-16-2 ]
  • [ 20781-20-8 ]
  • [ 1400998-45-9 ]
  • [ 1418290-37-5 ]
  • 99
  • [ 610-16-2 ]
  • [ 1400998-45-9 ]
  • [ 1418290-35-3 ]
  • 100
  • [ 581106-09-4 ]
  • [ 610-16-2 ]
  • [ 1443470-35-6 ]
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4,4',4''-Nitrilotribenzoic acid

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Chemical Structure| 1202-25-1

[ 1202-25-1 ]

Methyl 4-dimethylaminobenzoate

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Chemical Structure| 10541-83-0

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4-(Methylamino)benzoic acid

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Amines

Chemical Structure| 619-84-1

[ 619-84-1 ]

4-Dimethylaminobenzoic acid

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Chemical Structure| 99-64-9

[ 99-64-9 ]

3-(Dimethylamino)benzoic acid

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Chemical Structure| 118996-38-6

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4,4',4''-Nitrilotribenzoic acid

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Chemical Structure| 1202-25-1

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Methyl 4-dimethylaminobenzoate

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Chemical Structure| 10541-83-0

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4-(Methylamino)benzoic acid

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Carboxylic Acids

Chemical Structure| 619-84-1

[ 619-84-1 ]

4-Dimethylaminobenzoic acid

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Chemical Structure| 99-64-9

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3-(Dimethylamino)benzoic acid

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Chemical Structure| 118996-38-6

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4,4',4''-Nitrilotribenzoic acid

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Chemical Structure| 202745-73-1

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1-Methyl-1H-indole-6-carboxylic acid

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Chemical Structure| 588720-42-7

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Indolizine-6-carboxylic acid

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