[ CAS No. 86488-00-8 ]

Name: 86488-00-8|6-(2-Chloroethyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one|97%
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Quality Control of [ 86488-00-8 ]

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Product Details of [ 86488-00-8 ]

CAS No. :	86488-00-8	MDL No. :	MFCD02093803
Formula :	C₉H₉ClN₂OS	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	SVZSNASRUSJMAF-UHFFFAOYSA-N
M.W :	228.70	Pubchem ID :	817872
Synonyms :

Safety of [ 86488-00-8 ]

Signal Word:	Danger	Class:	8
Precautionary Statements:	P501-P260-P270-P264-P280-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405	UN#:	3261
Hazard Statements:	H302-H314	Packing Group:	Ⅱ
GHS Pictogram:

Application In Synthesis of [ 86488-00-8 ]

* 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 [ 86488-00-8 ]

[ 86488-00-8 ] Synthesis Path-Downstream 1~3

1
[ 86488-00-8 ]
(+/-)-trans-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole [ No CAS ]
[ 2797-51-5 ]
(+/-)-trans-6-[2-(1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indol-2-yl)ethyl]-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
1.5 g (28%)	With potassium iodide; sodium carbonate In water; 4-methyl-2-pentanone	B.2 EXAMPLE B.2 EXAMPLE B.2 A mixture of 6-(2-chloroethyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one (3.4 g), prepared as described in EP-A-0,070,053, intermediate 14 (2.6 g), sodium carbonate (4.8 g) and potassium iodide (0.1 g) in methyl isobutyl ketone (70 ml) was stirred for 18 hours at 90° C. The solvent was evaporated. Water (100 ml) was added and this mixture was extracted with DCM. The separated organic layer was dried, filtered and the solvent was evaporated. The residue was purified by column chromatography over silica gel (eluent: CHCl3 /CH3 OH 95/5). The pure fractions were collected and the solvent was evaporated. The residue was treated with ACN (15 ml). The solid was filtered off and dried, yielding 1.5 g (28%) of (+-)-trans-6-[2-(1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indol-2-yl)ethyl]-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one (compound 11, mp. 152.5° C.).

Reference： [1]Current Patent Assignee: JOHNSON & JOHNSON INC - US6057325, 2000, A

2
[ 86488-00-8 ]
[ 56565-20-9 ]
6-{2-[3-(4-Fluorophenacyl)-1-pyrrolidinyl]ethyl}-7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine dihydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
24%	With sodium bicarbonate; ammonia In methanol; hexane; dichloromethane; toluene	33 6-{2-[3-(4 Fluorophenacyl)- 1-pyrrolidinyl]ethyl}-7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine dihydrochloride EXAMPLE 33 6-{2-[3-(4 Fluorophenacyl)- 1-pyrrolidinyl]ethyl}-7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine dihydrochloride 9.8 g of 3-(4-fluorophenacyl)pyrrolidine, 10.31 g of 6-(2-chloroethyl)-7-methyl-5-oxo-5H-thiazolo[3,2-a]-pyrimidine, 10 g of sodium hydrogen carbonate and 150 ml of toluene are brought to reflux for 50 hours. The mixture is filtered and the toluene is concentrated under vacuum. The oil obtained is then purified by two chromatographic runs on columns of 70-230 mesh silica gel using, first, a mixture of dichloromethane, methanol and ammonia solution (93:7:0.7 V/V/V), and then a mixture of ether, hexane and methanol (60:30:10 V/V/V), as eluant. The corresponding dihydrochloride is obtained in ethanol. Yield: 24% Melting point: 162°-164° C.

Reference： [1]Current Patent Assignee: SERVIER MONDE - US5077288, 1991, A

Yield	Reaction Conditions	Operation in experiment
		30 EXAMPLE 30 EXAMPLE 30 A mixture of 50 parts of 2-thiazolamine, 76 parts of 3-acetyl-4,5-dihydro-2(3H)-furanone, 1.2 parts of concentrated hydrochloric acid and 270 parts of methylbenzene was stirred and refluxed for 2 hours using a water-separator. The reaction mixture is cooled and 340 parts of phosphoryl chloride were added at a temperature between 20° and 30° C. The whole was heated slowly to 100°-110° C. and stirring was continued for 2 hours at this temperature. The reaction mixture was evaporated and the residue was poured onto a mixture of crushed ice and ammonium hydroxide. The product was extracted with trichloromethane. The extract was dried, filtered and evaporated. The residue was purified by column chromatography over silica gel using a mixture of trichloromethane and methanol (95:5 by volume) as eluent. The pure fractions were collected and the eluent was evaporated. The residue was crystallized from a mixture of 2-propanol and 1,1'-oxybisethane, yielding 36 parts of 6-(2-chloroethyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one (intermediate 172).
		III EXAMPLE III EXAMPLE III A mixture of 50 parts of 2-thiazolamine, 76 parts of 3-acetyl-4,5-dihydro-2(3H)-furanone, 1.2 parts of concentrate hydrochloric acid and 270 parts of methylbenzene was stirred and refluxed for 2 hours using a water-separator. The reaction mixture was cooled and 340 parts of phosphoryl chloride were added at a temperature between 20° and 30° C. The whole was heated slowly to 100°-110° C. and stirring was continued for 2 hours at this temperature. The reaction mixture was evaporated and the residue was poured onto a mixture of crushed ice and ammonium hydroxide. The product was extracted with trichloromethane. The extract was dried, filtered and evaporated. The residue was purified by column-chromatography over silica gel using a mixture of trichloromethane and methanol (95:5 by volume) as eluent. The pure fractions were collected and the eluent was evaporated. The residue was crystallized from a mixture of 2-propanol and 1,1'-oxybisethane, yielding 36 parts of 6-(2-chloroethyl)- 7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one (intermediate 5).
		2 EXAMPLE 2 EXAMPLE 2 A mixture of 50 parts of 2-thiazolamine, 76 parts of 3-acetyl-4,5-dihydro-2(3H)-furanone, 1.2 parts of concentrate hydrochloric acid and 270 parts of methylbenzene was stirred and refluxed for 2 hours using a water-separator. The reaction mixture was cooled and 340 parts of phosphoryl chloride were added at a temperature between 20° and 30° C. The whole was heated slowly to 100°-110° C. and stirring was continued for 2 hours at this temperature. The reaction mixture was evaporated and the residue was poured into a mixture of crushed ice and ammonium hydroxide. The product was extracted with trichloromethane. The extract was dried, filtered and evaporated. The residue was purified by column chromatography over silica gel using a mixture of trichloromethane and methanol (95:5 by volume) as eluent. The pure fractions were collected and the eluent was evaporated. The residue was crystallized from a mixture of 2-propanol and 1,1'-oxybisethane, yielding 36 parts of 6-(2-chloroethyl)- 7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one (intermediate 5).

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P230	Keep wetted
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P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
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P378
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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.
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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.
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P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
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P337 + P313	IF eye irritation persists: Get medical advice/attention.
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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
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
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H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
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H228	Flammable solid
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H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
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H351	Suspected of causing cancer
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H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
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. 86488-00-8 ]

Quality Control of [ 86488-00-8 ]

Related Doc. of [ 86488-00-8 ]

Product Details of [ 86488-00-8 ]

Safety of [ 86488-00-8 ]

Application In Synthesis of [ 86488-00-8 ]

[ 86488-00-8 ] Synthesis Path-Downstream 1~3

Related Functional Groups of [ 86488-00-8 ]

Chlorides

Amides

Related Parent Nucleus of [ 86488-00-8 ]

Other Aromatic Heterocycles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 86488-00-8 ]

Related Parent Nucleus of
[ 86488-00-8 ]