[ CAS No. 69506-85-0 ] {[proInfo.proName]}

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2D 3D

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Quality Control of [ 69506-85-0 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 69506-85-0 ]

SDS Specification

Alternatived Products of [ 69506-85-0 ]

Product Details of [ 69506-85-0 ]

CAS No. :	69506-85-0	MDL No. :	MFCD11110663
Formula :	C₉H₁₂N₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ISXPITWIJWSEKJ-UHFFFAOYSA-N
M.W :	176.22	Pubchem ID :	15028898
Synonyms :

Safety of [ 69506-85-0 ]

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

Application In Synthesis of [ 69506-85-0 ]

* 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 [ 69506-85-0 ]

[ 69506-85-0 ] Synthesis Path-Downstream 1~23

1
[ 288-32-4 ]
[ 109-64-8 ]
[ 69506-85-0 ]

Yield	Reaction Conditions	Operation in experiment
63%		General procedure: The general procedure for the Nalkylation of heterocycles was as follows.22 Heterocycle (1 mmol) wasdissolved in 5 ml anhydrous DMF. Then complex(0.05 mmol) and K2CO3 was added to the solution atroom temperature. Shortly afterwards (20 min),1,3-dibromopropane (1 mmol) was added in portions to the reaction mixture. The reaction was stirred at room temperature. The inorganic salt was removed byfiltration and rinsed twice with dichloromethane. The solution was poured into water and extracted withdichloromethane (2 x 25 ml). The combined organiclayers were washed with brine, dried over anhydroussodium sulphate, filtered, and concentrated in vacuoresulting in the formation of the product in 92 % yieldwith coupling ratio 1:1 and product yield 78 % withcoupling ratio 2:1. Nalkylation of heterocycles with1,3-dibromopropane having 1:1 coupling proportion(Scheme-2) is easier than 2:1 coupling proportion(Scheme-3).
52%		1,3-Di(imidazolyl-1)propane: Imidazole (13.6 g,0.2 mol) was dissolved in 50 mL of acetonitrile, and22.4 g (0.2 mol) of potassium tert-butoxide was addedportionwise (the reaction is exothermic) with stirringon a magnetic stirrer. The resulting mixture was stirredfor 1 h, and the solvent was then distilled off in vacuum(to remove tert-butanol). Acetonitrile (70 mL) wasadded to the dry residue, and 20.4 g (0.1 mol) of1,3-dibromopropane dissolved in 20 mL of acetonitrilewas added dropwise over 1 h under stirring. Theprecipitate of KBr was filtered off the next day, the filtratewas evaporated in vacuum, and the residue wasdistilled in vacuum. The product was distilled at 198-200C/<1 mmHg as a pale-yellow viscous liquid thatcrystallizes later, m.p. 45C. The yield was 9.1 g (52%).

Reference： [1]Organometallics,2021,vol. 40,p. 3775 - 3784
[2]Heterocycles,2003,vol. 60,p. 779 - 784
[3]Angewandte Chemie - International Edition,2007,vol. 46,p. 6525 - 6528
[4]European Journal of Medicinal Chemistry,2009,vol. 44,p. 3350 - 3355
[5]Journal of Chemical Sciences,2020,vol. 132
[6]Russian Journal of Physical Chemistry,2015,vol. 89,p. 2204 - 2209
Zh. Fiz. Khim.,2015,vol. 89,p. 1858 - 1863,6

2
[ 3022-16-0 ]
[ 69506-85-0 ]
C₄₂H₅₆N₈⁽⁴⁺⁾*4Cl^(1-) [ No CAS ]

Reference： [1]Heterocycles,2003,vol. 60,p. 779 - 784

3
[ 5036-48-6 ]
[ 50-00-0 ]
[ 131543-46-9 ]
[ 69506-85-0 ]

Reference： [1]Organic and Biomolecular Chemistry,2005,vol. 3,p. 4201 - 4208

4
[ 627-31-6 ]
[ 69506-85-0 ]
C₂₁H₃₀N₈⁽²⁺⁾*2I^(1-) [ No CAS ]

Reference： [1]Organic and Biomolecular Chemistry,2005,vol. 3,p. 4201 - 4208

5
[ 91-13-4 ]
[ 69506-85-0 ]
C₆H₄(CH₂N₂C₃H₃CH₂)2CH₂⁽²⁺⁾*2Br^(1-)=C₆H₄(CH₂N₂C₃H₃CH₂)2CH₂Br₂ [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2006,vol. 45,p. 5966 - 5970

6
[ 627-31-6 ]
[ 69506-85-0 ]
1,1':3,3'-bis(trimethylene)bis(imidazolium) diiodide [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2007,vol. 46,p. 5178 - 5183

7
[ 69506-85-0 ]
(CH₂C₃H₃N₂CH₂)4(CH₂)4⁽⁴⁺⁾*4I^(1-)=((CH₂C₃H₃N₂CH₂)4(CH₂)4)I₄ [ No CAS ]

Reference： [1]Organic and Biomolecular Chemistry,2005,vol. 3,p. 4201 - 4208

8
[ 627-31-6 ]
[ 69506-85-0 ]
(CH₂C₃H₃N₂CH₂)4(CH₂)4⁽⁴⁺⁾*4I^(1-)=((CH₂C₃H₃N₂CH₂)4(CH₂)4)I₄ [ No CAS ]
1,1':3,3'-bis(trimethylene)bis(imidazolium) diiodide [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2007,vol. 46,p. 6525 - 6528

9
[ 69506-85-0 ]
[ 74-88-4 ]
1,1’-dimethyl-3,3’-propylene-diimidazolium diiodide [ No CAS ]

Reference： [1]Synthesis,2010,p. 2609 - 2615

10
copper(II) acetate dihydrate [ No CAS ]
[ 46331-50-4 ]
potassium hydroxide [ No CAS ]
[ 69506-85-0 ]
[Cu₅(.mu3.-OH)2(1,3-bis(imidazol)propane)2(5-methoxyisophthalate)4]n [ No CAS ]

Reference： [1]Dalton Transactions,2012,vol. 41,p. 2078 - 2083

11
α-K6[P2W18O62]*12H2O [ No CAS ]
[ 6046-93-1 ]
[ 69506-85-0 ]
[Cu((1,1'-(1,3-propanediyl)bis(imimdazole)H)]4[P₂W₁₈O₆₂]2 [ No CAS ]

Reference： [1]Journal of Molecular Structure,2010,vol. 968,p. 19 - 23

12
[ 2359-09-3 ]
[ 5743-04-4 ]
[ 69506-85-0 ]
[Cd2(5-tert-butyl isophthalato)2(1,3-bis(imidazole-1-yl)propane)2]·4H2O}n [ No CAS ]

Reference： [1]Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry,2013,vol. 43,p. 682 - 686

13
dodecamolybdophosphoric acid * 13 H₂O [ No CAS ]
[ 69506-85-0 ]
[(PMo₁₂O₄₀)(1,1'-(1,3-propanediyl)bis(imidazole)(+2H))(1,1'-(1,3-propanediyl)bis(imidazole)(+H))] [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
60%	With hydrogenchloride; In water; at 25 - 160℃; for 96h;pH 4.0;Autoclave;	A mixture of H3PMo12O40·13H2O (0.6178g, 0.3mmol), bpi (0.035g, 0.2mmol) and H2O (10ml) was stirred for 30min in air until it was homogeneous. When the pH value of the mixture was adjusted to 4 with 1M HCl, the solution was transferred and sealed in a 30-ml Teflon-lined stainless steel autoclave, which was heated at 160C under autogenous pressure for 4days. The dark blue block crystals were isolated and collected by filtration, washed thoroughly with distilled water, and dried at room temperature (60% yield based on Mo). Anal. Calc. C18H27N8O40PMo12 (4295.10): C, 4.99 (Calc. 5.03); H, 0.69 (0.63); N, 2.69 (2.61); P, 0.74(0.72); Mo, 26.79 (26.82) wt.%

Reference： [1]Inorganica Chimica Acta,2013,vol. 400,p. 59 - 66

14
[ 69506-86-1 ]
dodecamolybdophosphoric acid * 13 H₂O [ No CAS ]
[ 69506-85-0 ]
[(PMo₁₂O₄₀)(1,1 '-(1,4-butanediyl)bis(imidazole)(+2H))0.5(1,1'-(1,3-propanediyl)bis(imidazole)(+H))] [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
63%	With hydrogenchloride; In water; at 25 - 170℃; for 96h;pH 4.0;Autoclave;	A mixture of H3PMo12O40·13H2O (0.6178g, 0.3mmol), bpi (0.0175g, 0.1mmol), bbi (0.019g, 0.1mmol) and H2O (10ml) was stirred for 30min in air until it was homogeneous. When the pH value of the mixture was adjusted to 4 with 1M HCl, the solution was transferred and sealed in a 30-ml Teflon-lined stainless steel autoclave, which was heated at 170C under autogenous pressure for 4days. The light blue sheet crystals were isolated and collected by filtration, washed thoroughly with distilled water, and dried at room temperature (63% yield based on Mo). Anal. Calc. C14H21N6O40PMo12 (2095.62): C, 7.99 (Calc. 8.02); H, 0.99 (1.00); N, 3.99 (4.01); P, 1.44 (1.48); Mo, 54.61 (54.97) wt.%.

Reference： [1]Inorganica Chimica Acta,2013,vol. 400,p. 59 - 66

15
[ 499-49-0 ]
[ 5743-04-4 ]
[ 69506-85-0 ]
[ 1470065-49-6 ]

Yield	Reaction Conditions	Operation in experiment
42%	With potassium hydroxide; In water; at 139.84℃; for 72h;Autoclave;	The reaction condition is similar to those described in 1 except that 1,2-bie was replaced by 1,3-bip (17.6mg, 0.1mmol). Colorless block crystals of 2 were obtained. Yield: 19.6mg, 42percent (Based on Cd). Anal. Calc. for C18H18CdN4O4: C, 46.32; H, 3.89; N, 12.00. Found: C, 46.28; H, 3.93; N, 11.96percent. IR (cm?1): 3484 m, 3118 m, 1615 m, 1546 s, 1370 s, 1090 s, 780 s, 730 s, 659 s.

Reference： [1]Inorganica Chimica Acta,2013,vol. 407,p. 153 - 159

16
[ 69506-85-0 ]
C₃₂H₃₄Ag₂N₁₀⁽²⁺⁾*2F₆P^(1-) [ No CAS ]

Reference： [1]New Journal of Chemistry,2013,vol. 37,p. 4176 - 4184

17
[ 69506-85-0 ]
C₃₂H₃₄Au₂N₁₀⁽³⁺⁾*2F₆P^(1-) [ No CAS ]

Reference： [1]New Journal of Chemistry,2013,vol. 37,p. 4176 - 4184

18
[ 69506-85-0 ]
C₃₂H₃₄Ag₂N₁₀⁽²⁺⁾*2Br^(1-) [ No CAS ]

Reference： [1]New Journal of Chemistry,2013,vol. 37,p. 4176 - 4184

19
[ 69506-85-0 ]
C₃₂H₃₄Au₂N₁₀⁽³⁺⁾*2Br^(1-) [ No CAS ]

Reference： [1]New Journal of Chemistry,2013,vol. 37,p. 4176 - 4184

20
[ 7703-74-4 ]
[ 69506-85-0 ]
C₁₆H₁₉N₅⁽²⁺⁾*2Br^(1-) [ No CAS ]

Reference： [1]New Journal of Chemistry,2013,vol. 37,p. 4176 - 4184
[2]Organometallics,2014,vol. 33,p. 2182 - 2188

21
[ 69506-85-0 ]
C₁₆H₁₇Br₂N₅Pd [ No CAS ]

Reference： [1]Organometallics,2014,vol. 33,p. 2182 - 2188

22
[ 69506-85-0 ]
C₁₆H₁₇Br₃N₅Pt⁽¹⁺⁾*Br^(1-) [ No CAS ]

Reference： [1]Organometallics,2014,vol. 33,p. 2182 - 2188

23
[ 69506-85-0 ]
C₁₆H₁₇Br₂N₅Pt [ No CAS ]

Reference： [1]Organometallics,2014,vol. 33,p. 2182 - 2188

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Precautionary Statements-General
Code	Phrase
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Prevention
Code	Phrase
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P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
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P233	Keep container tightly closed.
P234	Keep only in original container.
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P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
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P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
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P264	Wash hands thoroughly after handling.
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P270	Do not eat, drink or smoke when using this product.
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P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
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P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
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P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
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P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
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P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
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P401
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H400	Very toxic to aquatic life
H401	Toxic to aquatic life
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H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 69506-85-0 ] {[proInfo.proName]}

Quality Control of [ 69506-85-0 ]

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Product Details of [ 69506-85-0 ]

Safety of [ 69506-85-0 ]

Application In Synthesis of [ 69506-85-0 ]

[ 69506-85-0 ] Synthesis Path-Downstream 1~23

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