Aza-15-crown-5 supplier | CasNO.66943-05-3

Name
Aza-15-crown-5
EINECS 266-523-3
CAS No. 66943-05-3
Article Data19
CAS DataBase
Density 0.968g/cm³
Solubility soluble in water
Melting Point 35-37 °C(lit.)
Formula C₁₀H₂₁NO₄
Boiling Point 347 °C at 760 mmHg
Molecular Weight 219.281
Flash Point 140.5 °C
Transport Information
Appearance light brown crystalline mass
Safety 26-36-37/39
Risk Codes 36/37/38-20/22
Molecular Structure
Hazard Symbols Xn; Xi
Synonyms 1-Aza-4,7,10,13-tetraoxacyclopentadecane;1-Aza-15-crown-5;13-Aza-15-crown-5;Aza-15-crown-5;Monoaza-15-crown-5;1,4,7,10-Tetraoxa-15-azacyclopentadecane;
PSA 48.95000
LogP -0.01520

Synthetic route

: 71089-11-7
1-benzyl-1-aza-15-crown-5

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

Conditions

Conditions	Yield
With hydrogenchloride; hydrogen; palladium on activated charcoal	98%
With hydrogen; palladium on activated charcoal In ethanol at 25℃; under 3102.9 Torr; for 24h;	98%
With hydrogen; palladium on activated charcoal In ethanol under 5171.5 Torr; for 6h;	89%

: 71089-10-6
13-(p-Tolylsulfonyl)-1,4,7,10-tetraoxa-13-azacyclopentadecan

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

Conditions

Conditions	Yield
With lithium aluminium tetrahydride	83%
With lithium aluminium tetrahydride In tetrahydrofuran Heating;

: 111-42-2
2,2'-iminobis[ethanol]

: 19249-03-7
triethylene glycol di-(p-toluenesulfonate)

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

Conditions

Conditions	Yield
With sodium t-butanolate In 1,4-dioxane; tert-butyl alcohol at 40℃; for 2h;	59%
With sodium t-butanolate In 1,4-dioxane at 40℃; for 1h;	45%
With sodium In tert-butyl alcohol at 40℃;	35%
With sodium t-butanolate In 1,4-dioxane; tert-butyl alcohol at 20 - 40℃; for 3h;	25%
With sodium t-butanolate In 1,4-dioxane; tert-butyl alcohol at 40℃; for 4h;	3.19 g

: triethylene glycol di(toluene-p-sulphonate)

: 111-42-2
2,2'-iminobis[ethanol]

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

Conditions

Conditions	Yield
With sodium; tert-butyl alcohol at 40℃; for 19h; Inert atmosphere; Glovebox;	28%

: 112-26-5
1,2-bis(2-chloroethoxy)ethane

: 111-42-2
2,2'-iminobis[ethanol]

A: 2-{2-[2-(2-Vinyloxy-ethoxy)-ethoxy]-ethylamino}-ethanol

B: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

Conditions

Conditions	Yield
With sodium t-butanolate In tert-butyl alcohol at 60℃; for 38h;	A n/a B 12%

...Expand

: 80900-29-4
1,4,7,10-Tetraoxa-13-aza-cyclopentadecane-13-carboximidic acid methyl ester

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

Conditions

Conditions	Yield
With acetic acid for 24h; Heating; Yield given;

: 85971-96-6
3,6,12-trioxa-9-azatetradecane-1,14-diol

A: 7037-28-7
2-[2-(2-morpholin-4-yl-ethoxy)-ethoxy]-ethanol

B: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

Conditions

Conditions	Yield
With sodium hydroxide; p-toluenesulfonyl chloride In 1,4-dioxane at 60℃; for 5h; Yields of byproduct given;	A n/a B 50 % Spectr.
With sodium hydroxide; p-toluenesulfonyl chloride In 1,4-dioxane at 20℃; for 5h; Product distribution; variation of arenesulphonyl chloride, base and temperature;	A 10 % Spectr. B 48 % Spectr.

: 112-26-5
1,2-bis(2-chloroethoxy)ethane

: 111-42-2
2,2'-iminobis[ethanol]

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

Conditions

Conditions	Yield
With sodium t-butanolate In tert-butyl alcohol at 60℃; Yield given;

: 85971-95-5
3,6,9-trioxa-12-azatetradecane-1,14-diol

A: 85971-99-9
2-{2-[2-(2-Aziridin-1-yl-ethoxy)-ethoxy]-ethoxy}-ethanol

B: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

Conditions

Conditions	Yield
With sodium hydroxide; p-toluenesulfonyl chloride In 1,4-dioxane at 60℃; for 5h; Yields of byproduct given;	A n/a B 59 % Spectr.

: 66750-07-0
13-(4-nitrosophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

Conditions

Conditions	Yield
With hydrogen sulfite In ethanol at 60 - 70℃; for 0.333333h; Yield given;

: C25H42NO5*Na(1+)

A: 37942-07-7
3,5-di-tert-butyl-2-hydroxybenzaldehyde

B: C25H43NO5*Na(1+)

C: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

Conditions

Conditions	Yield
In acetonitrile at 25℃; Kinetics;

...Expand

: C25H42NO5*Ca(2+)

A: 37942-07-7
3,5-di-tert-butyl-2-hydroxybenzaldehyde

B: C25H43NO5*Ca(2+)

C: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

Conditions

Conditions	Yield
In acetonitrile at 25℃; Kinetics;

...Expand

: C25H42NO5*Mg(2+)

A: 37942-07-7
3,5-di-tert-butyl-2-hydroxybenzaldehyde

B: C25H43NO5*Mg(2+)

C: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

Conditions

Conditions	Yield
In acetonitrile at 25℃; Kinetics;

...Expand

: C25H42NO5*Sr(2+)

A: 37942-07-7
3,5-di-tert-butyl-2-hydroxybenzaldehyde

B: C25H43NO5*Sr(2+)

C: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

Conditions

Conditions	Yield
In acetonitrile at 25℃; Kinetics;

...Expand

: C25H42NO5*C16H36N(1+)

A: 37942-07-7
3,5-di-tert-butyl-2-hydroxybenzaldehyde

B: C25H43NO5*C16H36N(1+)

C: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

Conditions

Conditions	Yield
In acetonitrile at 25℃; Kinetics;

...Expand

: 112-27-6
2,2'-[1,2-ethanediylbis(oxy)]bisethanol

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 93 percent / aq. KOH / tetrahydrofuran / 10 h / 0 - 20 °C 2: 25 percent / sodium tert-butoxide / 2-methyl-propan-2-ol; dioxane / 3 h / 20 - 40 °C View Scheme
Multi-step reaction with 3 steps 1.1: sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride / dichloromethane; water / 6.5 h 2.1: sodium hydroxide; tetrabutylammomium bromide / water; benzene / 10 h / 70 °C 3.1: hydrogen; palladium 10% on activated carbon; acetic acid / methanol / 4 - 5 h 3.2: pH 9 - 10 View Scheme
Multi-step reaction with 2 steps 1: potassium hydroxide / tetrahydrofuran; water / 18 h / 0 - 20 °C / Inert atmosphere; Glovebox 2: tert-butyl alcohol; sodium / 19 h / 40 °C / Inert atmosphere; Glovebox View Scheme
Multi-step reaction with 3 steps 1.1: dmap / dichloromethane / Inert atmosphere 1.2: 12 h / 0 - 20 °C / Inert atmosphere 2.1: sodium hydroxide; tetrabutylammomium bromide / water; toluene / 10 h / 70 °C / Inert atmosphere 3.1: acetic acid; palladium on activated charcoal; hydrogen / methanol / 12 h / 20 °C / 7500.75 Torr / Autoclave; Inert atmosphere View Scheme

: 41024-91-3
penta(ethylene glycol) bis(p-toluenesulfonate)

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 86 percent / Na2CO3 / toluene / 3 h / Heating 2: 89 percent / H2 / Pd/C / ethanol / 6 h / 5171.5 Torr View Scheme
Multi-step reaction with 3 steps 1: 12 percent / NaH, NaBr / dimethylsulfoxide / 2 h / 40 °C 2: 95 percent / KCN / 20 h / Heating 3: aqueous AcOH / 24 h / Heating View Scheme

: 19249-03-7
triethylene glycol di-(p-toluenesulfonate)

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 46 percent / NaH / tetrahydrofuran 2: 98 percent / H2, trace HCl / Pd-C View Scheme
Multi-step reaction with 2 steps 1: 52 percent / 80 percent NaH / tetrahydrofuran / Heating 2: 83 percent / LiAlH4 View Scheme
Multi-step reaction with 2 steps 1: (i) NaH, THF, (ii) /BRN= 632509/ 2: LiAlH4 / tetrahydrofuran / Heating View Scheme
Multi-step reaction with 2 steps 1.1: sodium hydroxide; tetrabutylammomium bromide / water; benzene / 10 h / 70 °C 2.1: hydrogen; palladium 10% on activated carbon; acetic acid / methanol / 4 - 5 h 2.2: pH 9 - 10 View Scheme
Multi-step reaction with 2 steps 1: sodium hydroxide; tetrabutylammomium bromide / water; toluene / 10 h / 70 °C / Inert atmosphere 2: acetic acid; palladium on activated charcoal; hydrogen / methanol / 12 h / 20 °C / 7500.75 Torr / Autoclave; Inert atmosphere View Scheme

: 76871-59-5
1,14-diiodo-3,6,9,12-tetraoxatetradecane

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Na2CO3 / acetonitrile / Heating 2: 88 percent / H2 / Pd/C / ethanol View Scheme

: 5197-66-0
2-(2-(2-(2-chloroethoxy)ethoxy)ethoxy)ethanol

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 64 percent / Na2CO3 / 24 h / 120 °C 2: 59 percent Spectr. / p-toluenesulphonyl chloride, NaOH / dioxane / 5 h / 60 °C View Scheme

: 5197-65-9
1,14-dichloro-3,6,9,12-tetraoxatetradecane

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 34 percent / NaH, NaBr / dimethylsulfoxide / 2 h / 40 °C 2: 95 percent / KCN / 20 h / Heating 3: aqueous AcOH / 24 h / Heating View Scheme

: 80900-27-2
N-cyano monoaza 15-crown-5

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 95 percent / KCN / 20 h / Heating 2: aqueous AcOH / 24 h / Heating View Scheme

: 75-15-0
carbon disulfide

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 128093-17-4
sodium (aza-15-crown-5) dithiocarbamate

Conditions

Conditions	Yield
With sodium hydroxide In ethanol at 0 - 5℃; for 2 - 3h;	100%
With sodium hydroxide In water at 0℃; for 6h;	68%

: 13-(6-Chloro-3-nitro-pyridin-2-yl)-1,4,7,10-tetraoxa-13-aza-cyclopentadecane

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: C25H42N4O10

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 100℃; under 6000480 Torr; for 96h;	100%

: 4,8-dibromo-2,6-dioctylpyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetraone

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: C36H54BrN3O8

Conditions

Conditions	Yield
In N,N-dimethyl acetamide at 120℃; for 18h; Inert atmosphere;	100%

: 38309-89-6
2,7-bis(bromomethyl)naphthalene

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 74776-82-2
C32H50N2O8

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 18h; Heating;	99%

: 3034-52-4
2-chlorothiazole

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 13-(thiazol-2-yl)-1,4,7,10-tetraoxa-13-azacyclopentadecane

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 100℃; under 6000480 Torr; for 120h;	99%

: 615-18-9
2-chloro-1,3-benzoxazole

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 13-(benzoxazol-2-yl)-1,4,7,10-tetraoxa-13-azacyclopentadecane

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 100℃; under 6000480 Torr; for 96h;	99%

: 615-20-3
2-chlorobenzo[d][1,3]thiazole

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 13-(benzothiazol-2-yl)-1,4,7,10-tetraoxa-13-azacyclopentadecane

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 100℃; under 6000480 Torr; for 96h;	99%

: silver hexafluoroantimonate

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 238739-12-3
(C10O4NH21)2Ag(1+)*SbF6(1-)=(C10O4NH21)2AgSbF6

Conditions

Conditions	Yield
In not given	99%

: tantalum(V) oxide

: 7664-39-3
hydrogen fluoride

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: [azonia-15-crown-5]2[(TaF5)2O]

Conditions

Conditions	Yield
In water Ta2O5 reacted with 40% aq. HF; treated with aza-15-crown-5; crystals obtained; elem. anal.;	99%

...Expand

: 1-(Dicyanomethylene)-2,3-dichloroindene

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 1215228-33-3
1-dicyanomethylene-2-chloro-3-(4,7,10,13-tetraoxa-1-azacyclopentadec-1-yl)indene

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 1h;	99%

: 74802-03-2
7-isothiocyanato-4-methyl-2H-chromen-2-one

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 1234108-17-8
C21H28N2O6S

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 0.5h; Inert atmosphere;	99%

: 100-83-4
meta-hydroxybenzaldehyde

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: m-(aza-15-crown-5)methylphenol

Conditions

Conditions	Yield
Stage #1: meta-hydroxybenzaldehyde; 1,4,7,10-tetraoxa-15-azacyclopentadecane In tetrahydrofuran for 1h; Schlenk technique; Stage #2: With sodium tris(acetoxy)borohydride In tetrahydrofuran Schlenk technique;	98.8%

: 67-56-1
methanol

: 50-00-0
formaldehyd

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 91043-70-8
N-Methoxymethylmonoaza-15-crown-5 ether

Conditions

Conditions	Yield
at 20℃; for 12h;	98%
for 0.5h;

...Expand

: 103144-36-1
1-isothiocyanato-2-[2-(isothiocyanato)ethoxy]ethane

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 111039-22-6
C26H50N4O9S2

Conditions

Conditions	Yield
In methanol at 40 - 45℃; for 0.25h;	98%

: 103144-38-3
1,15-dithioxo-5,8,11-trioxa-2,14-diazapentadecane

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 111039-23-7
C30H58N4O11S2

Conditions

Conditions	Yield
In methanol at 40 - 45℃; for 0.25h;	98%

: 103144-39-4
1,18-dithioxo-5,8,11,14-tetraoxa-2,17-diazaoctadecane

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 111039-24-8
C32H62N4O12S2

Conditions

Conditions	Yield
In methanol at 40 - 45℃; for 0.25h;	98%

: 1293-79-4
ferrocenoyl chloride

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 130586-20-8
1,4,7,10-tetraoxa-13-azacyclopentadec-13-ylcarbonylferrocene

Conditions

Conditions	Yield
With triethylamine In benzene soln. of chlorocarbonylferrocene added slowly to a soln. of aza-15-crown-5 and NEt3; stirring (1 h); filtration, evapn. (reduced pressure), column chromy. (neutral Al2O3; CH2Cl2, then CH2Cl2/MeOH);	98%

: 55324-01-1
1,3-bis(bromomethyl)-2-nitrobenzene

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 74782-93-7
C28H47N3O10

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 18h; Heating;	97%

: 121633-88-3, 147513-53-9
25,27-bis(methoxycarboxylic, acid)-26,28-dihydroxy-4-tert-butylcalix-[4]arene

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 1448219-80-4
2,2'-[5,11,17,23-tetra-tert-butyl-26,28-dihydroxycalix[4]arene-25,27-diylbis(oxy)]bis[1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)ethanone]

Conditions

Conditions	Yield
Stage #1: 25,27-bis(methoxycarboxylic, acid)-26,28-dihydroxy-4-tert-butylcalix-[4]arene With benzotriazol-1-ol; dicyclohexyl-carbodiimide In chloroform at 0 - 20℃; Stage #2: 1,4,7,10-tetraoxa-15-azacyclopentadecane In chloroform for 12h;	97%
Stage #1: 25,27-bis(methoxycarboxylic, acid)-26,28-dihydroxy-4-tert-butylcalix-[4]arene With benzotriazol-1-ol; dicyclohexyl-carbodiimide In tetrahydrofuran; dichloromethane at 0℃; for 1h; Stage #2: 1,4,7,10-tetraoxa-15-azacyclopentadecane In tetrahydrofuran; dichloromethane at 0℃;	96.7%

: 6270-19-5
4-(oxiran-2-ylmethyl)morpholine

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 116136-95-9
13-/2-hydroxy-3-(morpholino)propyl/-1,4,7,10-tetraoxa-13-azacyclopentadecane

Conditions

Conditions	Yield
at 80℃; for 9h;	96%

: 612-23-7
2-nitrobenzyl chloride

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 88548-59-8
N-(2-nitrobenzyl)monoaza-15-crown-5

Conditions

Conditions	Yield
With sodium carbonate In acetonitrile Heating;	96%
With sodium carbonate In acetonitrile for 24h; Heating;	96%
With sodium carbonate In acetonitrile for 24h; Heating;	35%

: 141-30-0
3,6-dichlorpyridazine

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 13-(6-chloropyridazin-3-yl)-1,4,7,10-tetraoxa-13-azacyclopentadecane

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 100℃; under 6000480 Torr; for 96h;	96%

: 120471-09-2
ruthenocenecarbonyl chloride

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 198883-26-0
1,4,7,10-tetraoxa-13-azacyclopentadec-13-ylcarbonylruthenocene

Conditions

Conditions	Yield
With triethylamine In benzene soln. of Ru-complex added dropwise to soln. of aza-15-crown-5 and NEt3; stirring (1 h); filtration, evapn. (reduced pressure), column chromy. (neutral Al2O3; CH2Cl2, then CH2Cl2/MeOH);	96%

: 454-16-0
1-fluoro-2-methoxy-4-nitrobenzene

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 13-(2-methoxy-4-nitrophenyl)-1,4,7,10-tetraoxa-13-cyclopentadecane

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide for 10h; Reflux;	96%

: 20276-43-1
N-(Hydroxymethyl)-aziridine

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 91043-71-9
N-(Aziridinomethyl)-aza-15-crown-5

Conditions

Conditions	Yield
In benzene at 20℃; for 3h;	95%

: 97-00-7
1-chloro-2,4-dinitro-benzene

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 191226-78-5
1-(2,4-dinitrophenyl)-1-aza-4,7,10,13-tetraoxapentadecane

Conditions

Conditions	Yield
With tetrabutylammonium acetate In diethyl ether for 24h; Substitution; Heating;	95%

: 56908-88-4
3,5-dibromobenzyl bromide

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 1313610-71-7
13-(3,5-dibromobenzyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 24h; Reflux;	95%

: 18226-42-1
1,3,5-Tris(bromomethyl)benzene

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 1415606-93-7
1,3,5-tris[(1'-aza-4',7',10',13'-tetraoxapentadec-1'-yl)methyl]benzene

Conditions

Conditions	Yield
With sodium carbonate In acetonitrile at 20℃; for 24h; Inert atmosphere; Reflux;	95%

: 21988-87-4
1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene

: 66943-05-3
1,4,7,10-tetraoxa-15-azacyclopentadecane

: 1415606-94-8
1,3,5-tris[(1'-aza-4',7',10',13'-tetraoxapentadec-1'-yl)methyl]-2,4,6-trimethylbenzene

Conditions

Conditions	Yield
With sodium carbonate In acetonitrile at 20℃; for 35h; Inert atmosphere; Reflux;	95%

Aza-15-crown-5 Specification

The Aza-15-crown-5, with CAS registry number 66943-05-3, belongs to the following product categories: (1)Azacrown Ethers; (2)Crown Ethers; (3)Macrocycles for Host-Guest Chemistry; (4)Functional Materials. It has the systematic name of 1,4,7,10-tetraoxa-13-azacyclopentadecane. This chemical is a kind of light brown crystalline mass. It should be stored at the temperature of 0-6°C. And the chemical formula of this chemical is C₁₀H₂₁NO₄. What's more, its EINECS is 266-523-3.

Physical properties of Aza-15-crown-5: (1)ACD/LogP: -1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.33; (4)ACD/LogD (pH 7.4): -2.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 40.16 Å²; (13)Index of Refraction: 1.408; (14)Molar Refractivity: 55.88 cm³; (15)Molar Volume: 226.3 cm³; (16)Polarizability: 22.15×10^-24cm³; (17)Surface Tension: 30.4 dyne/cm; (18)Density: 0.968 g/cm³; (19)Flash Point: 140.5 °C; (20)Enthalpy of Vaporization: 59.12 kJ/mol; (21)Boiling Point: 347 °C at 760 mmHg; (22)Vapour Pressure: 5.54E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 13-(toluene-4-sulfonyl)-1,4,7,10-tetraoxa-13-aza-cyclopentadecane. This reaction will need reagent LiAlH₄. The yield is about 83%.

When you are using this chemical, please be cautious about it as the following:
The Aza-15-crown-5 irritates to eyes, respiratory system and skin. And it is harmful by inhalation and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O1CCNCCOCCOCCOCC1
(2)InChI: InChI=1/C10H21NO4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11H,1-10H2
(3)InChIKey: BJUOQSZSDIHZNP-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C10H21NO4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11H,1-10H2
(5)Std. InChIKey: BJUOQSZSDIHZNP-UHFFFAOYSA-N

Product Name

Aza-15-crown-5

Synthetic route

Aza-15-crown-5 Specification

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