Acetamide, 2-amino-N-dodecyl- supplier

Name
Acetamide, 2-amino-N-dodecyl-
EINECS
CAS No. 59404-81-8
Article Data7
CAS DataBase
Density 0.9 g/cm³
Solubility
Melting Point
Formula C₁₄H₃₀N₂O
Boiling Point 390.603 °C at 760 mmHg
Molecular Weight 242.405
Flash Point 190.03 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-Dodecylglycinamide;
PSA 58.61000
LogP 4.52280

Synthetic route

: 1590356-20-9
2-azido-N-dodecylacetamide

: 59404-81-8
2-amino-N-dodecylacetamide

Conditions

Conditions	Yield
With palladium/alumina; hydrogen; palladium In tetrahydrofuran at 20℃; for 8h;	65%

: 1041633-28-6
N-dodecyl-2-(1,3-dioxoisoindolin-2-yl)acetamide

: 59404-81-8
2-amino-N-dodecylacetamide

Conditions

Conditions	Yield
With hydrazine In ethanol at 50℃; for 3h;	50%

: 56368-66-2
glycine n-dodecylamide hydrochloride

: 59404-81-8
2-amino-N-dodecylacetamide

Conditions

Conditions	Yield
With sodium hydroxide In methanol

: 1027296-45-2
BOC-Gly-OH

: 59404-81-8
2-amino-N-dodecylacetamide

Conditions

Conditions	Yield
With hydrogenchloride for 2h; Heating; Yield given;
Multi-step reaction with 2 steps 1: HCl / diethyl ether; tetrahydrofuran 2: sodium hydroxide / methanol View Scheme

: 124-22-1
n-Dodecylamine

: 59404-81-8
2-amino-N-dodecylacetamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) 1-hydroxybenzotriazole hydrate, CDI / 1.) THF, 2.) THF, RT, overnight 2: 1N aq. HCl / 2 h / Heating View Scheme
Multi-step reaction with 3 steps 1: dicyclohexylcarbodiimide, N-hydroxysuccinimide / CHCl3 / 0 °C 2: HCl / diethyl ether; tetrahydrofuran 3: sodium hydroxide / methanol View Scheme

: 59404-81-8
2-amino-N-dodecylacetamide

: 35902-68-2
N-dodecyl-ethane-1,2-diamine

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran Heating;	68%

: 59404-81-8
2-amino-N-dodecylacetamide

: (Z)-3-Methoxy-2-pyrimidin-5-ylmethyl-acryloyl isothiocyanate

: N-dodecyl-2-(2-mercapto-4-oxo-5-pyrimidin-5-ylmethyl-4H-pyrimidin-1-yl)-acetamide

Conditions

Conditions	Yield
Stage #1: 2-amino-N-dodecylacetamide; (Z)-3-Methoxy-2-pyrimidin-5-ylmethyl-acryloyl isothiocyanate In N,N-dimethyl-formamide Stage #2: With sodium ethanolate

: 59404-81-8
2-amino-N-dodecylacetamide

: (Z)-3-Methoxy-2-(2-methoxy-pyrimidin-5-ylmethyl)-acryloyl isothiocyanate

: N-dodecyl-2-[2-mercapto-5-(2-methoxy-pyrimidin-5-ylmethyl)-4-oxo-4H-pyrimidin-1-yl]-N-methyl-acetamide

Conditions

Conditions	Yield
Stage #1: 2-amino-N-dodecylacetamide; (Z)-3-Methoxy-2-(2-methoxy-pyrimidin-5-ylmethyl)-acryloyl isothiocyanate In N,N-dimethyl-formamide Stage #2: With sodium ethanolate

: 59404-81-8
2-amino-N-dodecylacetamide

: 224775-04-6
N-dodecyl-2-[2-(4-fluoro-benzylsulfanyl)-4-oxo-5-(2-oxo-1,2-dihydro-pyrimidin-5-ylmethyl)-4H-pyrimidin-1-yl]-N-methyl-acetamide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: dimethylformamide 1.2: NaOEt 2.1: iPrNEt / CH2Cl2 3.1: B-bromocatecholborane / CH2Cl2 View Scheme

: 59404-81-8
2-amino-N-dodecylacetamide

: N-dodecyl-2-[2-(4-fluoro-benzylsulfanyl)-5-(1-methyl-2-oxo-1,2-dihydro-pyrimidin-5-ylmethyl)-4-oxo-4H-pyrimidin-1-yl]-N-methyl-acetamide

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: dimethylformamide 1.2: NaOEt 2.1: iPrNEt / CH2Cl2 3.1: B-bromocatecholborane / CH2Cl2 4.1: K2CO3 / dimethylformamide View Scheme

: 59404-81-8
2-amino-N-dodecylacetamide

: 224775-00-2
1-(N-methyl-N-(dodec-1-yl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-(2-methoxypyrimid-5-ylmethyl)pyrimidin-4-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: dimethylformamide 1.2: NaOEt 2.1: iPrNEt / CH2Cl2 View Scheme

: 59404-81-8
2-amino-N-dodecylacetamide

: N-dodecyl-2-[2-(4-fluoro-benzylsulfanyl)-5-(1-methylcarbamoylmethyl-2-oxo-1,2-dihydro-pyrimidin-5-ylmethyl)-4-oxo-4H-pyrimidin-1-yl]-N-methyl-acetamide

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1.1: dimethylformamide 1.2: NaOEt 2.1: iPrNEt / CH2Cl2 3.1: B-bromocatecholborane / CH2Cl2 4.1: K2CO3 / dimethylformamide 5.1: aq. NaOH / dioxane 6.1: hydroxybenzotriazole; EDC / CH2Cl2 View Scheme

: 59404-81-8
2-amino-N-dodecylacetamide

: 259532-14-4
{5-[1-[(dodecyl-methyl-carbamoyl)-methyl]-2-(4-fluoro-benzylsulfanyl)-4-oxo-1,4-dihydro-pyrimidin-5-ylmethyl]-2-oxo-2H-pyrimidin-1-yl}-acetic acid

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: dimethylformamide 1.2: NaOEt 2.1: iPrNEt / CH2Cl2 3.1: B-bromocatecholborane / CH2Cl2 4.1: K2CO3 / dimethylformamide 5.1: aq. NaOH / dioxane View Scheme

: 59404-81-8
2-amino-N-dodecylacetamide

: 259532-13-3
{5-[1-[(dodecyl-methyl-carbamoyl)-methyl]-2-(4-fluoro-benzylsulfanyl)-4-oxo-1,4-dihydro-pyrimidin-5-ylmethyl]-2-oxo-2H-pyrimidin-1-yl}-acetic acid ethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: dimethylformamide 1.2: NaOEt 2.1: iPrNEt / CH2Cl2 3.1: B-bromocatecholborane / CH2Cl2 4.1: K2CO3 / dimethylformamide View Scheme

: 59404-81-8
2-amino-N-dodecylacetamide

: N-dodecyl-2-(2-(4-fluoro-benzylsulfanyl)-5-{1-[(2-hydroxy-ethylcarbamoyl)-methyl]-2-oxo-1,2-dihydro-pyrimidin-5-ylmethyl}-4-oxo-4H-pyrimidin-1-yl)-N-methyl-acetamide

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1.1: dimethylformamide 1.2: NaOEt 2.1: iPrNEt / CH2Cl2 3.1: B-bromocatecholborane / CH2Cl2 4.1: K2CO3 / dimethylformamide 5.1: aq. NaOH / dioxane 6.1: hydroxybenzotriazole; EDC / CH2Cl2 View Scheme

: 59404-81-8
2-amino-N-dodecylacetamide

: N-dodecyl-2-{2-(4-fluoro-benzylsulfanyl)-5-[1-(2-morpholin-4-yl-2-oxo-ethyl)-2-oxo-1,2-dihydro-pyrimidin-5-ylmethyl]-4-oxo-4H-pyrimidin-1-yl}-N-methyl-acetamide

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1.1: dimethylformamide 1.2: NaOEt 2.1: iPrNEt / CH2Cl2 3.1: B-bromocatecholborane / CH2Cl2 4.1: K2CO3 / dimethylformamide 5.1: aq. NaOH / dioxane 6.1: hydroxybenzotriazole; EDC / CH2Cl2 View Scheme

: 59404-81-8
2-amino-N-dodecylacetamide

: N-dodecyl-2-(2-(4-fluoro-benzylsulfanyl)-4-oxo-5-{2-oxo-1-[2-oxo-2-(3-oxo-piperazin-1-yl)-ethyl]-1,2-dihydro-pyrimidin-5-ylmethyl}-4H-pyrimidin-1-yl)-N-methyl-acetamide

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1.1: dimethylformamide 1.2: NaOEt 2.1: iPrNEt / CH2Cl2 3.1: B-bromocatecholborane / CH2Cl2 4.1: K2CO3 / dimethylformamide 5.1: aq. NaOH / dioxane 6.1: hydroxybenzotriazole; EDC / CH2Cl2 View Scheme

: 59404-81-8
2-amino-N-dodecylacetamide

: N-(2-guanylethyl)dodecylamine dinitrate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 68 percent / LiAlH4 / tetrahydrofuran / Heating 2: 44 percent / Et3N / dimethylformamide / 72 h View Scheme

Acetamide, 2-amino-N-dodecyl- Specification

The Acetamide, 2-amino-N-dodecyl-, with the CAS registry number 59404-81-8, is also known as 2-Amino-N-dodecylacetamide. This chemical's molecular formula is C₁₄H₃₀N₂O and molecular weight is 242.40. What's more, its systematic name is called N-Dodecylglycinamide.

Physical properties about Acetamide, 2-amino-N-dodecyl- are: (1)ACD/LogP: 4.403; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 4.17; (5)ACD/BCF (pH 5.5): 23.08; (6)ACD/BCF (pH 7.4): 754.88; (7)ACD/KOC (pH 5.5): 104.51; (8)ACD/KOC (pH 7.4): 3417.69; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 13; (12) Polar Surface Area: 55.12 Å²; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 74.069 cm³; (15)Molar Volume: 269.243 cm³; (16)Polarizability: 29.363×10^-24cm³; (17)Surface Tension: 34.219 dyne/cm; (18)Density: 0.9 g/cm³; (19)Flash Point: 190.03 °C; (20)Enthalpy of Vaporization: 64.01 kJ/mol; (21)Boiling Point: 390.603 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NCCCCCCCCCCCC)CN
(2) InChI: InChI=1S/C14H30N2O/c1-2-3-4-5-6-7-8-9-10-11-12-16-14(17)13-15/h2-13,15H2,1H3,(H,16,17)
(3) InChIKey: COQIWLXONHFWES-UHFFFAOYSA-N

Product Name

Acetamide, 2-amino-N-dodecyl-

Synthetic route

Acetamide, 2-amino-N-dodecyl- Specification

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