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1316214-52-4

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Basic Information
CAS No.: 1316214-52-4
Name: ACY-1215
Article Data: 26
Molecular Structure:
Molecular Structure of 1316214-52-4 (ACY-1215)
Formula: C24H27N5O3
Molecular Weight: 433.51
Synonyms: N-[7-(Hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide;
Density: 1.2±0.1 g/cm3
PSA: 114.43000
LogP: 5.54720
Related products
Synthetic route
1316216-07-5

C25H28N4O3

1316214-52-4

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

Conditions
ConditionsYield
Stage #1: C25H28N4O3 With sodium hydroxide In methanol; dichloromethane at 0℃; for 0.166667h;
Stage #2: With hydroxylamine In methanol; dichloromethane; water at 0 - 20℃; for 0.333333h;
Stage #3: With hydrogenchloride In water		48%
Stage #1: C25H28N4O3 With methanol; sodium hydroxide In dichloromethane at 0℃; for 0.166667h;
Stage #2: With hydroxylamine In dichloromethane at 0 - 20℃; for 0.333333h;		48%
Stage #1: C25H28N4O3 With sodium hydroxide In methanol; dichloromethane at 0℃; for 0.166667h;
Stage #2: With hydroxylamine In methanol; dichloromethane at 0 - 20℃; for 20h;		48%
89793-12-4

ethyl 2-chloropyrimidine-5-carboxylate

1316214-52-4

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: potassium carbonate / N,N-dimethyl-formamide / 120 °C
2.1: caesium carbonate / copper(l) iodide / tetraethoxy orthosilicate / 14 h / 140 °C
3.1: water / ethanol / 0.5 h / 60 °C
4.1: N-ethyl-N,N-diisopropylamine; HATU / tetrahydrofuran / 20 °C
5.1: sodium hydroxide / dichloromethane; methanol / 0.17 h / 0 °C
5.2: 0.33 h / 0 - 20 °C
View Scheme
Multi-step reaction with 5 steps
1.1: potassium carbonate / N,N-dimethyl-formamide / 120 °C / Inert atmosphere
2.1: tetraethoxy orthosilicate; copper(l) iodide; caesium carbonate / 14 h / 140 °C / Inert atmosphere
3.1: sodium hydroxide; ethanol / 0.5 h / 60 °C
4.1: HATU; N-ethyl-N,N-diisopropylamine / 20 °C
5.1: sodium hydroxide; methanol / dichloromethane / 0.17 h / 0 °C
5.2: 0.33 h / 0 - 20 °C
View Scheme
Multi-step reaction with 5 steps
1.1: potassium carbonate / N,N-dimethyl-formamide / 120 °C / Inert atmosphere
2.1: copper(l) iodide; caesium carbonate; tetraethoxy orthosilicate / 14 h / 140 °C / Inert atmosphere
3.1: sodium hydroxide / ethanol / 0.5 h / 60 °C
4.1: HATU; N-ethyl-N,N-diisopropylamine / 20 °C
5.1: sodium hydroxide / methanol; dichloromethane / 0.17 h / 0 °C
5.2: 20 h / 0 - 20 °C
View Scheme
62-53-3

aniline

1316214-52-4

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: potassium carbonate / N,N-dimethyl-formamide / 120 °C
2.1: caesium carbonate / copper(l) iodide / tetraethoxy orthosilicate / 14 h / 140 °C
3.1: water / ethanol / 0.5 h / 60 °C
4.1: N-ethyl-N,N-diisopropylamine; HATU / tetrahydrofuran / 20 °C
5.1: sodium hydroxide / dichloromethane; methanol / 0.17 h / 0 °C
5.2: 0.33 h / 0 - 20 °C
View Scheme
Multi-step reaction with 5 steps
1.1: potassium carbonate / N,N-dimethyl-formamide / 120 °C / Inert atmosphere
2.1: tetraethoxy orthosilicate; copper(l) iodide; caesium carbonate / 14 h / 140 °C / Inert atmosphere
3.1: sodium hydroxide; ethanol / 0.5 h / 60 °C
4.1: HATU; N-ethyl-N,N-diisopropylamine / 20 °C
5.1: sodium hydroxide; methanol / dichloromethane / 0.17 h / 0 °C
5.2: 0.33 h / 0 - 20 °C
View Scheme
Multi-step reaction with 5 steps
1.1: potassium carbonate / N,N-dimethyl-formamide / 120 °C / Inert atmosphere
2.1: copper(l) iodide; caesium carbonate; tetraethoxy orthosilicate / 14 h / 140 °C / Inert atmosphere
3.1: sodium hydroxide / ethanol / 0.5 h / 60 °C
4.1: HATU; N-ethyl-N,N-diisopropylamine / 20 °C
5.1: sodium hydroxide / methanol; dichloromethane / 0.17 h / 0 °C
5.2: 20 h / 0 - 20 °C
View Scheme
864172-93-0

ethyl 2-(phenylamino)pyrimidine-5-carboxylate

1316214-52-4

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: caesium carbonate / copper(l) iodide / tetraethoxy orthosilicate / 14 h / 140 °C
2.1: water / ethanol / 0.5 h / 60 °C
3.1: N-ethyl-N,N-diisopropylamine; HATU / tetrahydrofuran / 20 °C
4.1: sodium hydroxide / dichloromethane; methanol / 0.17 h / 0 °C
4.2: 0.33 h / 0 - 20 °C
View Scheme
Multi-step reaction with 4 steps
1.1: tetraethoxy orthosilicate; copper(l) iodide; caesium carbonate / 14 h / 140 °C / Inert atmosphere
2.1: sodium hydroxide; ethanol / 0.5 h / 60 °C
3.1: HATU; N-ethyl-N,N-diisopropylamine / 20 °C
4.1: sodium hydroxide; methanol / dichloromethane / 0.17 h / 0 °C
4.2: 0.33 h / 0 - 20 °C
View Scheme
Multi-step reaction with 4 steps
1.1: copper(l) iodide; caesium carbonate; tetraethoxy orthosilicate / 14 h / 140 °C / Inert atmosphere
2.1: sodium hydroxide / ethanol / 0.5 h / 60 °C
3.1: HATU; N-ethyl-N,N-diisopropylamine / 20 °C
4.1: sodium hydroxide / methanol; dichloromethane / 0.17 h / 0 °C
4.2: 20 h / 0 - 20 °C
View Scheme
1316216-05-3

C19H17N3O2

1316214-52-4

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: water / ethanol / 0.5 h / 60 °C
2.1: N-ethyl-N,N-diisopropylamine; HATU / tetrahydrofuran / 20 °C
3.1: sodium hydroxide / dichloromethane; methanol / 0.17 h / 0 °C
3.2: 0.33 h / 0 - 20 °C
View Scheme
Multi-step reaction with 3 steps
1.1: sodium hydroxide; ethanol / 0.5 h / 60 °C
2.1: HATU; N-ethyl-N,N-diisopropylamine / 20 °C
3.1: sodium hydroxide; methanol / dichloromethane / 0.17 h / 0 °C
3.2: 0.33 h / 0 - 20 °C
View Scheme
Multi-step reaction with 3 steps
1.1: sodium hydroxide / ethanol / 0.5 h / 60 °C
2.1: HATU; N-ethyl-N,N-diisopropylamine / 20 °C
3.1: sodium hydroxide / methanol; dichloromethane / 0.17 h / 0 °C
3.2: 20 h / 0 - 20 °C
View Scheme
1316216-06-4

C17H13N3O2

1316214-52-4

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: N-ethyl-N,N-diisopropylamine; HATU / tetrahydrofuran / 20 °C
2.1: sodium hydroxide / dichloromethane; methanol / 0.17 h / 0 °C
2.2: 0.33 h / 0 - 20 °C
View Scheme
Multi-step reaction with 2 steps
1.1: HATU; N-ethyl-N,N-diisopropylamine / 20 °C
2.1: sodium hydroxide; methanol / dichloromethane / 0.17 h / 0 °C
2.2: 0.33 h / 0 - 20 °C
View Scheme
Multi-step reaction with 2 steps
1.1: HATU; N-ethyl-N,N-diisopropylamine / 20 °C
2.1: sodium hydroxide / methanol; dichloromethane / 0.17 h / 0 °C
2.2: 20 h / 0 - 20 °C
View Scheme
95928-49-7

2-hydroxy-pyrimidine-5-carboxylic acid ethyl ester

1316214-52-4

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: dmap; trichlorophosphate / 1.5 h / Reflux
1.2: pH 7
2.1: potassium carbonate / N,N-dimethyl-formamide / 120 °C
3.1: caesium carbonate / copper(l) iodide / tetraethoxy orthosilicate / 14 h / 140 °C
4.1: water / ethanol / 0.5 h / 60 °C
5.1: N-ethyl-N,N-diisopropylamine; HATU / tetrahydrofuran / 20 °C
6.1: sodium hydroxide / dichloromethane; methanol / 0.17 h / 0 °C
6.2: 0.33 h / 0 - 20 °C
View Scheme
Multi-step reaction with 6 steps
1.1: trichlorophosphate; dmap / 1.5 h / Reflux
1.2: pH 7
2.1: potassium carbonate / N,N-dimethyl-formamide / 120 °C / Inert atmosphere
3.1: tetraethoxy orthosilicate; copper(l) iodide; caesium carbonate / 14 h / 140 °C / Inert atmosphere
4.1: sodium hydroxide; ethanol / 0.5 h / 60 °C
5.1: HATU; N-ethyl-N,N-diisopropylamine / 20 °C
6.1: sodium hydroxide; methanol / dichloromethane / 0.17 h / 0 °C
6.2: 0.33 h / 0 - 20 °C
View Scheme
96042-30-7

4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran

1316214-52-4

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

Conditions
ConditionsYield
With sodium hydroxide; hydroxylamine
591-50-4

iodobenzene

1316214-52-4

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: copper(l) iodide; caesium carbonate / 14 h / 140 °C / Inert atmosphere
2.1: sodium hydroxide / ethanol / 0.5 h / 60 °C
3.1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 20 °C
4.1: sodium hydroxide / methanol; dichloromethane / 0.17 h / 0 °C
4.2: 0.33 h / 0 - 20 °C
View Scheme
39979-08-3

methyl 7-aminoheptanoate

1316216-06-4

C17H13N3O2

1316214-52-4

N-[7-(hydroxyamino)-7-oxo-heptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 20 °C
2.1: sodium hydroxide / methanol; dichloromethane / 0.17 h / 0 °C
2.2: 0.33 h / 0 - 20 °C
View Scheme
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  • N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

  • Casno:

    1316214-52-4

    N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

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    ACY-1215 CAS No.1316214-52-4

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    ACY-1215

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  • 5-Pyrimidinecarboxamide, 2-(diphenylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]-

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    ACY-1215

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  • ACY-1215

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    1316214-52-4

    ACY-1215

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    1316214-52-4

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    1316214-52-4

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  • p-nitrobenzyl isothiourea; (methylsulfonyl)acetonitrile; ACY-1215

  • Casno:

    1316214-52-4

    p-nitrobenzyl isothiourea; (methylsulfonyl)acetonitrile; ACY-1215

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Specification

The ACY-1215, with the CAS registry number 1316214-52-4, is also known as N-[7-(Hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide. This chemical's molecular formula is C24H27N5O3 and molecular weight is 433.50. What's more, its systematic name is 2-(Diphenylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]-5-pyrimidinecarboxamide.

Physical properties of ACY-1215 are: (1)ACD/LogP: 1.41±0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 6.94; (6)ACD/BCF (pH 7.4): 6.88; (7)ACD/KOC (pH 5.5): 139.27; (8)ACD/KOC (pH 7.4): 138.13; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 107.45 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 122.9±0.3 cm3; (15)Molar Volume: 349.9±3.0 cm3; (16)Polarizability: 48.7±0.5×10-24cm3; (17)Surface Tension: 58.6±3.0 dyne/cm; (18)Density: 1.2±0.1 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)N(c2ccccc2)c3ncc(cn3)C(=O)NCCCCCCC(=O)NO
(2)Std. InChI: InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
(3)Std. InChIKey: QGZYDVAGYRLSKP-UHFFFAOYSA-N