2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine supplier

Name
BENZO-12-CROWN-4
EINECS
CAS No. 14174-08-4
Article Data16
CAS DataBase
Density 1.084 g/cm³
Solubility
Melting Point 42-45 °C(lit.)
Formula C₁₂H₁₆O₄
Boiling Point 341.8 °C at 760 mmHg
Molecular Weight 224.257
Flash Point 136.4 °C
Transport Information
Appearance white transparent needles
Safety 22-24/25-36-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi,Xn
Synonyms Benzo-12-crown-4 ether;Benzo-12-crown-4;
PSA 36.92000
LogP 1.49100

Synthetic route

: 77963-44-1
o-hydroxyphenyl 3,6-dioxa-8-bromooctyl ether

: 14174-08-4
benzo-12-crown-4

Conditions

Conditions	Yield
With tetramethyl ammoniumhydroxide In water; dimethyl sulfoxide at 25℃;	94%
With tetramethyl ammoniumhydroxide In water; dimethyl sulfoxide at 25℃; Rate constant;	94.0 % Spectr.

: 120-80-9
benzene-1,2-diol

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

: 14174-08-4
benzo-12-crown-4

Conditions

Conditions	Yield
Stage #1: benzene-1,2-diol With tetrabutylammomium bromide; sodium hydroxide In water; toluene at 50 - 60℃; for 0.5h; Stage #2: triethylene glycol di-(p-toluenesulfonate) In water; toluene for 6h; Reflux;	52%
Stage #1: benzene-1,2-diol With potassium carbonate In N,N-dimethyl-formamide for 0.5h; Large scale; Stage #2: triethylene glycol di-(p-toluenesulfonate) In N,N-dimethyl-formamide at 85 - 90℃; Large scale;	28%
With sodium hydroxide; tetra-(n-butyl)ammonium iodide In toluene for 16h; Heating;	18%
With lithium hydroxide; sodium hydroxide 1.) THF; Yield given. Multistep reaction;

: 120-80-9
benzene-1,2-diol

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

A: 14174-08-4
benzo-12-crown-4

B: 14174-09-5
dibenzo-24-crown ether

Conditions

Conditions	Yield
With lithium hydroxide In water; butan-1-ol for 28h; modified Pedersen procedure; Heating;	A 26% B 27%
With lithium hydroxide In water; butan-1-ol at 100℃; for 30h;	A 10% B 7.8%
With sodium hydroxide In water; tert-butyl alcohol for 30h; Heating; Title compound not separated from byproducts;

...Expand

: 120-80-9
benzene-1,2-diol

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

: 14174-08-4
benzo-12-crown-4

Conditions

Conditions	Yield
With lithium hydroxide monohydrate In water; butan-1-ol at 95℃; Inert atmosphere;	14.4%
With sodium hydroxide; lithium perchlorate 1.) DMSO, 60 deg C, 15 min, 2.) 110 deg C, 22 h; Yield given. Multistep reaction;
With sodium hydroxide; lithium perchlorate 1) room temperature, 15 min; 2) 110 deg C, 24 h, DMSO; Yield given. Multistep reaction;
Stage #1: benzene-1,2-diol With lithium bromide monohydrate; lithium hydroxide monohydrate In water; butan-1-ol at 20 - 110℃; for 0.1h; Inert atmosphere; Stage #2: 1,2-bis(2-chloroethoxy)ethane In water; butan-1-ol at 110℃; for 5h; Inert atmosphere;

: 10234-40-9
2,2'-(1,2-phenylenedioxy)diethanol

: 6315-52-2
1,2-bis-tosyloxyethane

: 14174-08-4
benzo-12-crown-4

Conditions

Conditions	Yield
With sodium hydroxide; tetra-(n-butyl)ammonium iodide In toluene for 16h; Heating;	13%

: 99700-26-2
2,2'-<1,2-Phenylenbis(oxy)-2,1-ethandiyloxy>bisethanol

: 14174-08-4
benzo-12-crown-4

Conditions

Conditions	Yield
With sodium hydroxide; tetra-(n-butyl)ammonium iodide; p-toluenesulfonyl chloride In toluene at 70 - 75℃; for 13h;	7%

: 54535-06-7
bis(o-phenylene)glycol ditosylate

: 107-21-1
ethylene glycol

: 14174-08-4
benzo-12-crown-4

Conditions

Conditions	Yield
With sodium hydroxide; tetra-(n-butyl)ammonium iodide In toluene for 16h; Heating;	5%

: 87494-76-6
2-{2-[2-(2-Bromo-ethoxy)-ethoxy]-ethoxy}-phenol anion

: 14174-08-4
benzo-12-crown-4

Conditions

Conditions	Yield
sodium cation In water; dimethyl sulfoxide for 25h;

: C12H16O4*CNS(1-)*K(1+)

A: 14174-08-4
benzo-12-crown-4

B: 333-20-0
potassium thioacyanate

Conditions

Conditions	Yield
In acetonitrile at 24.9℃; Equilibrium constant;

: C12H16O4*CNS(1-)*Na(1+)

A: 14174-08-4
benzo-12-crown-4

B: 540-72-7
sodium thiocyanide

Conditions

Conditions	Yield
In acetonitrile at 24.9℃; Equilibrium constant;

: C12H16O4*CNS(1-)*Li(1+)

A: 14174-08-4
benzo-12-crown-4

B: 556-65-0
lithium thiocyanate

Conditions

Conditions	Yield
In acetonitrile at 24.9℃; Equilibrium constant;

: C12H16O4*2CNS(1-)*Ca(2+)

A: 14174-08-4
benzo-12-crown-4

B: 2092-16-2
calcium thiocyanate

Conditions

Conditions	Yield
In acetonitrile at 24.9℃; Equilibrium constant;

: C12H16O4*CHNS*H3N

A: 14174-08-4
benzo-12-crown-4

B: 1147550-11-5
ammonium thiocyanate

Conditions

Conditions	Yield
In acetonitrile at 24.9℃; Equilibrium constant;

: 120-80-9
benzene-1,2-diol

: 14174-08-4
benzo-12-crown-4

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 52 percent / K2CO3 / dimethylformamide / 10 h / 95 - 100 °C 2: 85 percent / aq. NaOH / 3.5 h / 30 - 95 °C 3: 7 percent / aq. NaOH; (nC4H9)4NI; p-TsCl / toluene / 13 h / 70 - 75 °C View Scheme

: 111875-70-8
2-[2-(2-hydroxyethoxy)ethoxy]phenol

: 14174-08-4
benzo-12-crown-4

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 85 percent / aq. NaOH / 3.5 h / 30 - 95 °C 2: 7 percent / aq. NaOH; (nC4H9)4NI; p-TsCl / toluene / 13 h / 70 - 75 °C View Scheme

: 31255-10-4
1,2-bis-(2-bromo-ethoxy)-ethane

: 14174-08-4
benzo-12-crown-4

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 16 percent / KOH 2: 94.0 percent Spectr. / Me4NOH / dimethylsulfoxide; H2O / 25 °C View Scheme

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

: 14174-08-4
benzo-12-crown-4

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: PBr3, pyridine 2: 16 percent / KOH 3: 94.0 percent Spectr. / Me4NOH / dimethylsulfoxide; H2O / 25 °C View Scheme
Multi-step reaction with 2 steps 1.1: potassium hydroxide / tetrahydrofuran / 7 h / 20 °C 2.1: tetrabutylammomium bromide; sodium hydroxide / toluene; water / 0.5 h / 50 - 60 °C 2.2: 6 h / Reflux View Scheme
Multi-step reaction with 2 steps 1.1: sodium hydroxide / water; tetrahydrofuran / 2 h / 5 °C / Large scale 2.1: potassium carbonate / N,N-dimethyl-formamide / 0.5 h / Large scale 2.2: 85 - 90 °C / Large scale View Scheme

: 55400-73-2
((oxybis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl) dimethanesulfonate

: 120-80-9
benzene-1,2-diol

: 14174-08-4
benzo-12-crown-4

Conditions

Conditions	Yield
Stage #1: benzene-1,2-diol With caesium carbonate In acetonitrile for 3h; Reflux; Inert atmosphere; Stage #2: ((oxybis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl) dimethanesulfonate In acetonitrile Inert atmosphere; Reflux;

: tantalum(V) oxide

: 14174-08-4
benzo-12-crown-4

: 7664-39-3
hydrogen fluoride

: 7732-18-5
water

: [(benzo-12-crown-4)2*H3O][TaF6]

Conditions

Conditions	Yield
In methanol; hydrogen fluoride aq. HF; Ta2O5 dissolved in 45% aq. HF; 2 equiv. CH3OH soln. of crown ether added; stored at 20-25°C in exsiccator for a low evapn. of solvent over several days; elem. anal.;	95%

...Expand

: 14174-08-4
benzo-12-crown-4

: 7783-71-3
tantalum pentafluoride

: 7664-39-3
hydrogen fluoride

: 7732-18-5
water

: [(benzo-12-crown-4)2*H3O][TaF6]

Conditions

Conditions	Yield
In hydrogen fluoride aq. HF; TaF5 in aq. 45% HF added to soln. of crown ether; stored at 20-25°C in exsiccator for a low evapn. of solvent over several days;	95%

...Expand

: 14174-08-4
benzo-12-crown-4

: 611-09-6
5-nitroisatin

: 1366625-22-0
C32H34N2O11

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid In chloroform at 25℃; regioselective reaction;	95%

: 14174-08-4
benzo-12-crown-4

: 75-65-0
tert-butyl alcohol

: 98987-34-9
12-(tert-butyl)-2,3,5,6,8,9-hexahydrobenzo[b][1,4,7,10]tetraoxacyclododecine

Conditions

Conditions	Yield
With sulfuric acid In chloroform Product distribution; Heating; different solvents, other crown ethers;	94%
With sulfuric acid In chloroform Heating;	94%

: 14174-08-4
benzo-12-crown-4

: 36993-93-8
3-(p-tolyl)-1,2,4-triazin-5(2H)-one

: 407-25-0
trifluoroacetic anhydride

: 420118-14-5
6-(6,7,9,10,12,13-hexahydro-5,8,11,14-tetraoxa-benzocyclododecen-2-yl)-3-p-tolyl-1-trifluoroacetyl-1,6-dihydro-4H-[1,2,4]triazin-5-one

Conditions

Conditions	Yield
In trifluoroacetic acid at 20℃; for 3h;	94%

...Expand

: 14174-08-4
benzo-12-crown-4

: 78554-67-3
2-nitro-6,7,9,10,12,13-hexahydro-5,8,11,14-tetraoxabenzocyclododecene

Conditions

Conditions	Yield
With nitric acid In chloroform; acetic acid at 20℃; for 6h;	93%
With nitric acid In acetonitrile for 0.5h; Heating;	92%
With nitric acid; acetic acid In chloroform at 20℃; for 24h; Cooling with ice;	75%

: 14174-08-4
benzo-12-crown-4

: Na[Re(η5-Cp)(N,N′-bis(2,6-diisopropylphenyl)-3,5-dimethyl-β-diketiminate)]

: [Na(benzo-12-crown-4)2][Re(η5-Cp)(N,N′-bis(2,6-diisopropylphenyl)-3,5-dimethyl-β-diketiminate)]

Conditions

Conditions	Yield
In diethyl ether at 23℃; for 1h;	91%

: 14174-08-4
benzo-12-crown-4

: 60-29-7
diethyl ether

: [(Et2O)Na(OC)Re(η5-Cp)(N,N′-bis(2,6-diisopropylphenyl)-3,5-dimethyl-β-diketiminate)]2

: [(benzo-12-crown-4)2Na]{Na[(OC)Re(η5-Cp)(N,N′-bis(2,6-diisopropylphenyl)-3,5-dimethyl-β-diketiminate)]2}

Conditions

Conditions	Yield
Stage #1: benzo-12-crown-4; [(Et2O)Na(OC)Re(η5-Cp)(N,N′-bis(2,6-diisopropylphenyl)-3,5-dimethyl-β-diketiminate)]2 at 23℃; for 0.0833333h; Stage #2: diethyl ether for 0.5h;	84%

...Expand

: 14174-08-4
benzo-12-crown-4

: 119072-54-7, 2769-71-3
2,6-dimethylphenyl isonitrile

: Na[Re(η5-Cp)(N,N′-bis(2,6-diisopropylphenyl)-3,5-dimethyl-β-diketiminate)]

: [(benzo-12-crown-4)2Na][(XylNC)Re(η5-Cp)(N,N′-bis(2,6-diisopropylphenyl)-3,5-dimethyl-β-diketiminate)]

Conditions

Conditions	Yield
Stage #1: benzo-12-crown-4; 2,6-dimethylphenyl isonitrile; Na[Re(η5-Cp)(N,N′-bis(2,6-diisopropylphenyl)-3,5-dimethyl-β-diketiminate)] In diethyl ether at 23℃; for 0.0833333h; Stage #2: for 0.25h; Further stages;	82%

...Expand

: 14174-08-4
benzo-12-crown-4

: 79-04-9
chloroacetyl chloride

: C14H17ClO5

Conditions

Conditions	Yield
With aluminum (III) chloride In dichloromethane at 0 - 20℃; for 2h;	79%

: 14174-08-4
benzo-12-crown-4

: 118409-81-7
12-bromo-2,3,5,6,8,9-hexahydrobenzo[b][1,4,7,10]-tetraoxacyclododecine

Conditions

Conditions	Yield
With dioxane dibromide In tetrahydrofuran for 0.166667h;	78%
With bromine In 1,4-dioxane Bromination;

: 14174-08-4
benzo-12-crown-4

: 54673-30-2
3-phenyl-1,2,4-triazin-5-one

: 407-25-0
trifluoroacetic anhydride

: 4-(5-Oxo-1-trifluoroacetyl-3-phenyl-1,2,5,6-tetrahydro-1,2,4-triazin-6-yl)benzo-12-crown-4

Conditions

Conditions	Yield
at 20℃; for 1h; Substitution; Acylation;	77%

...Expand

: 14174-08-4
benzo-12-crown-4

: 54673-30-2
3-phenyl-1,2,4-triazin-5-one

: 407-25-0
trifluoroacetic anhydride

: 6-(6,7,9,10,12,13-Hexahydro-5,8,11,14-tetraoxa-benzocyclododecen-2-yl)-3-phenyl-1-(2,2,2-trifluoro-acetyl)-1,6-dihydro-4H-[1,2,4]triazin-5-one

Conditions

Conditions	Yield
In trifluoroacetic acid at 20℃; for 3h;	77%

...Expand

: 14174-08-4
benzo-12-crown-4

: 485-47-2
indan-1,2,3-trione hydrate

: 1366625-24-2
C33H34O10

Conditions

Conditions	Yield
With sulfuric acid In chloroform at 25℃; regioselective reaction;	77%

: 14174-08-4
benzo-12-crown-4

: 108-24-7
acetic anhydride

: 107996-83-8
1-(6,7,9,10,12,13-hexahydro-5,8,11,14-tetraoxa-benzocyclododecen-2-yl)-ethanone

Conditions

Conditions	Yield
With PPA In acetic acid at 60℃;	76%

: 14174-08-4
benzo-12-crown-4

: C36H42O12

Conditions

Conditions	Yield
With iron(III) chloride; dipotassium peroxodisulfate at 10 - 15℃; for 2h;	75.6%

: 14174-08-4
benzo-12-crown-4

: 126867-37-6
6,7,9,10,12,13-Hexahydro-5,8,11,14-tetraoxa-benzocyclododecene-2-sulfonyl chloride

Conditions

Conditions	Yield
With chlorosulfonic acid In chloroform for 6h; Ambient temperature;	75%

: 14174-08-4
benzo-12-crown-4

: 111380-75-7
1,3,4,6-bis(2-oxapropylene)tetrahydro-3a,6a-diphenylimidazo<4,5-d>imidazole-2,5(1H,3H)-dione

: 1380508-63-3
28b,28c-diphenyl-2,3,5,6,8,9,12,14,17,18,20,21,23,24,27,28b,28c,29-octadecahydro-1,4,7,10,16,19,22,25-octaoxa-12a,13a,27a,28a-tetraazacyclododeca[1',2':4,5]benzo[1,2-f]cyclododeca[1'',2'':4',5']benzo[1',2':5,6]azuleno[2,1,8-ija]azulene-13,28-dione

Conditions

Conditions	Yield
With polyphosphoric acid at 80 - 85℃; for 0.5h;	75%
With polyphosphoric acid at 80℃;

: 14174-08-4
benzo-12-crown-4

: 2032-35-1
Bromoacetaldehyde diethyl acetal

: C26H32O8

Conditions

Conditions	Yield
Stage #1: benzo-12-crown-4; Bromoacetaldehyde diethyl acetal With sulfuric acid; acetic acid at 0 - 20℃; Stage #2: In pentan-1-ol for 6h; Reflux;	71%
Stage #1: benzo-12-crown-4; Bromoacetaldehyde diethyl acetal With sulfuric acid; acetic acid Stage #2: In pentan-1-ol Heating;

: 14174-08-4
benzo-12-crown-4

: 1-acetyl-3-p-tolyl-1,6-dihydro-4H-[1,2,4]triazin-5-one

: 420118-24-7
1-acetyl-6-(6,7,9,10,12,13-hexahydro-5,8,11,14-tetraoxa-benzocyclododecen-2-yl)-3-p-tolyl-1,6-dihydro-4H-[1,2,4]triazin-5-one

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 3h;	69%

: 14174-08-4
benzo-12-crown-4

: 100-97-0
hexamethylenetetramine

: 84993-16-8
2,3-(4-formylbenzo)-1,4,7,10-tetraoxa-2-cyclododecene

Conditions

Conditions	Yield
With trifluoroacetic acid at 90 - 95℃; for 24h;	68%

: 14174-08-4
benzo-12-crown-4

: 89179-74-8
3-ethylsulfanyl-4H-[1,2,4]triazin-5-one

: 407-25-0
trifluoroacetic anhydride

: 3-Ethylsulfanyl-6-(6,7,9,10,12,13-hexahydro-5,8,11,14-tetraoxa-benzocyclododecen-2-yl)-1-(2,2,2-trifluoro-acetyl)-1,6-dihydro-4H-[1,2,4]triazin-5-one

Conditions

Conditions	Yield
In trifluoroacetic acid at 20℃; for 6h;	65%

...Expand

: 14174-08-4
benzo-12-crown-4

: 64-19-7
acetic acid

A: 107996-83-8
1-(6,7,9,10,12,13-hexahydro-5,8,11,14-tetraoxa-benzocyclododecen-2-yl)-ethanone

B: 2,3-(4,5-diacetyl)benzo-12-crown-4 ether

Conditions

Conditions	Yield
With polyphosporic acid at 80℃; for 0.666667h;	A 64% B n/a
With PPA at 80℃; for 1.25h;	A n/a B 62%

...Expand

: 14174-08-4
benzo-12-crown-4

: 802294-64-0
propionic acid

A: 1-(6,7,9,10,12,13-Hexahydro-5,8,11,14-tetraoxa-benzocyclododecen-2-yl)-propan-1-one

B: 1-(3-Propionyl-6,7,9,10,12,13-hexahydro-5,8,11,14-tetraoxa-benzocyclododecen-2-yl)-propan-1-one

Conditions

Conditions	Yield
With PPA at 80℃;	A n/a B 64%
With PPA at 80℃;

...Expand

: 14174-08-4
benzo-12-crown-4

: 3-(4-Chlorophenyl)-2H-1,2,4-triazin-5-one

: 407-25-0
trifluoroacetic anhydride

: 3-(4-Chloro-phenyl)-6-(6,7,9,10,12,13-hexahydro-5,8,11,14-tetraoxa-benzocyclododecen-2-yl)-1-(2,2,2-trifluoro-acetyl)-1,6-dihydro-4H-[1,2,4]triazin-5-one

Conditions

Conditions	Yield
In trifluoroacetic acid at 20℃; for 6h;	64%

...Expand

: 14174-08-4
benzo-12-crown-4

: 17454-42-1, 125279-92-7, 125356-38-9
(4aR,14aS)-Dodecahydro-5,8,11,14-tetraoxa-benzocyclododecene

Conditions

Conditions	Yield
With hydrogen; (PAA)6RhCl In water; isopropyl alcohol under 760 Torr;	60%

: 14174-08-4
benzo-12-crown-4

: 768-95-6
1-adamanthanol

: 2-Adamantan-1-yl-6,7,9,10,12,13-hexahydro-5,8,11,14-tetraoxa-benzocyclododecene

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In 1,4-dioxane Heating;	59%

: 14174-08-4
benzo-12-crown-4

: 107-92-6
butyric acid

A: 1-(6,7,9,10,12,13-Hexahydro-5,8,11,14-tetraoxa-benzocyclododecen-2-yl)-butan-1-one

B: 1-(3-Butyryl-6,7,9,10,12,13-hexahydro-5,8,11,14-tetraoxa-benzocyclododecen-2-yl)-butan-1-one

Conditions

Conditions	Yield
With PPA at 80℃;	A 57% B n/a
With PPA at 80℃; for 0.666667h;

...Expand

: 10544-50-0
sulfur

: 14174-08-4
benzo-12-crown-4

sodium amalgam: sodium amalgam

: (K[Mo(13)C(N(CH3(C(2)H3)2C)(C6H3(CH3)2))3])2

: Na(1+)*2(C4H4(C2O)(C2H4O)3)*[Mo(13)CS(N(CH3(C(2)H3)2C)(C6H3(CH3)2))3](1-)=[Na(C24H32O8)][Mo(13)CS(N(C4H3(2)H6)(C8H9))3]

Conditions

Conditions	Yield
In tetrahydrofuran; diethyl ether; benzene stirring of (KMo(13)C(N(C(CD3)2CH3)(C6H3Me2))3)2 in C6H6/ether at -35°C, addn. of S8; stirring for 2 h; filtration, drying, transferring to vial with Na/Hg in THF, filtration after 2 h, drying, dissolving in soln. of benzo-12-crown-4 (2 equiv.); in 1:1 benzene/ether; pptn., recrystn. from 3:2 pentane/THF; elem. anal.;	56%

...Expand

2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine Specification

This chemical is called 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine, and its CAS registry number is 14174-08-4. With the molecular formula of C₁₂H₁₆O₄, its product categories are Crown Ethers; Functional Materials; Macrocycles for Host-Guest Chemistry; Chelation/Complexation Compounds; Crown Ethers; Synthetic Reagents. In addition, this chemical should be sealed in the cool and dry place.

Other characteristics of the 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine can be summarised as followings: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.78; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 2.32; (6)ACD/BCF (pH 7.4): 2.32; (7)ACD/KOC (pH 5.5): 63.48; (8)ACD/KOC (pH 7.4): 63.48; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.92 Å²; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 58.68 cm³; (15)Molar Volume: 206.8 cm³; (16)Polarizability: 23.26×10^-24cm³; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.084 g/cm³; (19)Flash Point: 136.4 °C; (20) Enthalpy of Vaporization: 56.23 kJ/mol; (21)Boiling Point: 341.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000155 mmHg at 25°C.

Production method of this chemical: The 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine could be obtained by the reactant of o-hydroxyphenyl 3,6-dioxa-8-bromooctyl ether. This reaction needs the reagent of Me₄NOH, and the solvent of dimethylsulfoxide and H₂O. The yield is 94 %. In addition, this reaction should be taken at the temperature of 25 °C.

Uses of this chemical: The dodecahydro-5,8,11,14-tetraoxa-benzocyclododecene could be obtained by the reactant of 2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine. This reaction needs the reagent of H₂, and the solvent of H₂O, propan-2-ol. The yield is 60 %.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful / irritating to eyes, respiratory system and skin. Don't breathe dust. You should wear suitable protective clothing to avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O1c2c(OCCOCCOCC1)cccc2
2.InChI: InChI=1/C12H16O4/c1-2-4-12-11(3-1)15-9-7-13-5-6-14-8-10-16-12/h1-4H,5-10H2
3.InChIKey: OAJNZFCPJVBYHB-UHFFFAOYAZ

Product Name

BENZO-12-CROWN-4

Synthetic route

2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecine Specification

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