[ CAS No. 30489-43-1 ] {[proInfo.proName]}

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2D 3D

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Quality Control of [ 30489-43-1 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 30489-43-1 ]

SDS Specification

Alternatived Products of [ 30489-43-1 ]

Product Details of [ 30489-43-1 ]

CAS No. :	30489-43-1	MDL No. :	MFCD09864457
Formula :	C₈H₈N₂O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	148.16	Pubchem ID :	-
Synonyms :

Safety of [ 30489-43-1 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 30489-43-1 ]

* 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.

Upstream synthesis route of [ 30489-43-1 ]
Downstream synthetic route of [ 30489-43-1 ]

[ 30489-43-1 ] Synthesis Path-Upstream 1~1

1
[ 117459-95-7 ]
[ 5857-45-4 ]
[ 30489-43-1 ]
[ 6188-43-8 ]

Reference： [1] European Journal of Organic Chemistry, 2013, # 1, p. 35 - 39
[2] Journal of Organic Chemistry, 2013, vol. 78, # 3, p. 1266 - 1272

[ 30489-43-1 ] Synthesis Path-Downstream 1~5

1
[ 6188-43-8 ]
[ 30489-43-1 ]

Yield	Reaction Conditions	Operation in experiment
85.5%		Sodium borohydride (1.61 g, 2.1 eq) was added to a solution of aldehyde 3 (2.92 g, 0.02 mol) in 400 mL of MeOH. The homogenous solution was refluxed for 1 h (oil bath, 75 C). The progress of the reaction was checked either by NMR (evaporation of 1 mL of reaction mixture, dissolution in CDCl3) or by TLC (acetone, Rf(substrate) = 0.56, Rf(product) = 0.24). The reaction mixture was cooled to RT, quenched with 30 mL of 6 N HCl, evaporated to dryness and treated with 70 mL of saturated sodium carbonate solution. The resulting non-homogenous mixture was evaporated to dryness and the semi-solid residue extracted with CH2Cl2 (5 × 110 mL), and then for another 2 h with 60 mL of CH2Cl2. The combined organic extracts were dried over Na2SO4 and evaporated to dryness, giving 2.53 g of product (85.5%).

Reference： [1]European Journal of Organic Chemistry,2013,p. 35 - 39
[2]European Journal of Medicinal Chemistry,2011,vol. 46,p. 4820 - 4826
[3]Organic and Biomolecular Chemistry,2017,vol. 15,p. 5140 - 5144
[4]Journal of Medicinal Chemistry,1996,vol. 39,p. 2856 - 2859

2
[ 30489-43-1 ]
[ 6188-43-8 ]
2-[(imidazo[1,2-a]pyridin-3-ylmethyl)thio]-1H-benzimidazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium borohydrid; In hydrogenchloride; methanol;	The resultant solid was collected by filtration, washed with water, and air dried to yield 1.8 g of 3-imidazo[1,2-a]pyridinecarboxaldehyde as the analytically pure p hydrate. [Calcd. for C8 H6 N2 O.H2 O: C, 58.53; H, 3.68; N, 17.06. Found: C, 58.77; H, 3.68; N, 17.48.]To a solution of 1.6 g (10 mmole) of 3-imidazo[1,2-a]-pyridinecarboxaldehyde in 15 ml of methanol was added 204 mg (5.4 mmole) of sodium borohydride. After one hour the mixture was acidified with concentrated hydrochloric acid and then concentrated in vacuo. Recrystallization of the residue from ethanol yielded 707 mg of 3-hydroxymethylimidazo[1,2-a]pyridine as the hydrochloride salt. A 500 mg (2.7 mmole) portion of the hydroxymethyl compound was dissolved in 3.0 ml of concentrated hydrochloric acid and heated at 80 for one hour.

Reference： [1]Patent: US4721718,1988,A

3
[ 30489-43-1 ]
[ 27231-36-3 ]
2-[(imidazo[1,2-a]pyridin-3-ylmethyl)thio]-5-methyl-1H-benzimidazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; acetic acid In hydrogen bromide	5 2-[(imidazo[1,2-a]pyridin-3-ylmethyl)thio]-5-methyl-1H-benzimidazole 1/4 hydrate STR13 Example 5 2-[(imidazo[1,2-a]pyridin-3-ylmethyl)thio]-5-methyl-1H-benzimidazole 1/4 hydrate STR13 A mixture of 903 mg (5.5 mmole) of 2-mercapto-5-methylbenzimidazole and 805 mg (5.4 mmole) of 3-hydroxymethylimidazo[1,2-a]pyridine (prepared as in Example 1) was dissolved in 10 ml of 48% aqueous hydrobromic acid and 10 ml of acetic acid and heated to reflux. After being cooled to room temperature, the mixture was poured into water and made alkaline with potassium carbonate. The oil that separated was extracted into dichloromethane, washed with water, dried over magnesium sulfate, filtered, and concentrated to an oil that crystallized on standing. The solid was collected by filtration, washed with diethyl ether, and air dried to yield the title compound as 610 mg of analytically pure solid. Structure assignment was supported by the nmr and infrared spectra and by elemental analysis. Analysis. Calcd. for C16 H14 N4 S. 1/4H2 O: C, 64.29; H, 4.89; N, 18.78; S, 10.72. Found: C, 64.57; H, 4.77; N, 18.76; S, 10.84.

Reference： [1]Current Patent Assignee: PFIZER INC - US4721718, 1988, A

4
[ 38427-94-0 ]
[ 30489-43-1 ]

Reference： [1]European Journal of Organic Chemistry,2013,p. 35 - 39
[2]European Journal of Organic Chemistry,2013,p. 35 - 39
[3]European Journal of Organic Chemistry,2013,p. 35 - 39
[4]European Journal of Organic Chemistry,2013,p. 35 - 39

5
[ 117459-95-7 ]
[ 5857-45-4 ]
[ 30489-43-1 ]
[ 6188-43-8 ]

Reference： [1]European Journal of Organic Chemistry,2013,p. 35 - 39
[2]Journal of Organic Chemistry,2013,vol. 78,p. 1266 - 1272

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Application In Synthesis of [ 30489-43-1 ]

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Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
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Prevention
Code	Phrase
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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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P321
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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.
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P378
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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.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
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P401
P402	Store in a dry place.
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Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
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H230	May react explosively even in the absence of air
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H240	Heating may cause an explosion
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H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
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H310	Fatal in contact with skin
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Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
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. 30489-43-1 ] {[proInfo.proName]}

Quality Control of [ 30489-43-1 ]

Related Doc. of [ 30489-43-1 ]

Product Details of [ 30489-43-1 ]

Safety of [ 30489-43-1 ]

Application In Synthesis of [ 30489-43-1 ]

[ 30489-43-1 ] Synthesis Path-Upstream 1~1

[ 30489-43-1 ] Synthesis Path-Downstream 1~5

Precautionary Statements-General

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