51991-94-7|5-Oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid| Ambeed

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Quality Control of [ 51991-94-7 ] Purity: 95% SDS Specification

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Product Details of [ 51991-94-7 ]

CAS No. :	51991-94-7
Formula :	C₇H₄N₂O₃S
M.W :	196.18
SMILES Code :	O=C(C1=CN=C(SC=C2)N2C1=O)O
MDL No. :	MFCD03011512
InChI Key :	FDGPDTWORUVKQX-UHFFFAOYSA-N
Pubchem ID :	762362

Safety of [ 51991-94-7 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P305+P351+P338

Application In Synthesis of [ 51991-94-7 ]

* 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 [ 51991-94-7 ]

[ 51991-94-7 ] Synthesis Path-Downstream 1~41

1
[ 51991-94-7 ]
[ 32278-54-9 ]

References: [1]Journal of Organic Chemistry,1959,vol. 24,p. 787,792.
[2]Journal of the Chemical Society C: Organic,1971,p. 2094 - 2097.

2
[ 32278-52-7 ]
[ 51991-94-7 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride;	(b) 5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid A mixture of ethyl 5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate (11.2g., 50mM) and 2N hydrochloric acid (75ml) was heated under reflux for 5 hours. The reaction mixture was cooled and filtered to give the required product in 79.7% weight yield (7.81g). numax (KBr disc) 1720 (acid C=O)cm-1; lambdamax (NaHCO3 solution) 232nm (epsilonm 2650), 263nm (epsilonm 2030), 328nm (epsilonm 6000) and 339nm (epsilonm 5400); (Found: C, 43,65; H, 2.26; N, 14.16; S, 16.62%. C7 H4 N2 O3 S requires C, 43.87; H, 2.06; N, 14.28; S, 16.32%.

References: [1]Journal of Heterocyclic Chemistry,2000,vol. 37,p. 95 - 101.
[2]Journal of Organic Chemistry,1959,vol. 24,p. 787,792.
[3]Journal of the Chemical Society C: Organic,1971,p. 2094 - 2097.
[4]Patent: US4081545,1978,A .

3
[ 51991-90-3 ]
[ 51991-94-7 ]

References: [1]Chemical and Pharmaceutical Bulletin,1974,vol. 22,p. 243 - 247.

4
[ 65692-03-7 ]
[ 51991-94-7 ]

References: [1]Chemical and pharmaceutical bulletin,1977,vol. 25,p. 3360 - 3365.

5
[ 110-89-4 ]
[ 51991-94-7 ]
[ 106695-59-4 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.

6
[ 110-91-8 ]
[ 51991-94-7 ]
[ 106695-60-7 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.

7
[ 109-01-3 ]
[ 51991-94-7 ]
[ 106695-61-8 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.

8
[ 96-50-4 ]
[ 51991-94-7 ]
[ 106695-67-4 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.

9
[ 504-29-0 ]
[ 51991-94-7 ]
[ 106695-68-5 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.

10
[ 1072-67-9 ]
[ 51991-94-7 ]
[ 106695-66-3 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.

11
[ 92-54-6 ]
[ 51991-94-7 ]
[ 106695-62-9 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.

12
[ 67-56-1 ]
[ 51991-94-7 ]
[ 106695-50-5 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.

13
[ 71-23-8 ]
[ 51991-94-7 ]
[ 106695-52-7 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.

14
[ 51991-94-7 ]
[ 107-03-9 ]
[ 106695-56-1 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.

15
[ 51991-94-7 ]
[ 64-17-5 ]
[ 106695-51-6 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.

16
[ 51991-94-7 ]
[ 109-79-5 ]
[ 106695-57-2 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.

17
[ 51991-94-7 ]
[ 109-86-4 ]
[ 106695-54-9 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.

18
[ 51991-94-7 ]
[ 1135-14-4 ]
[ 106695-65-2 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.

19
[ 51991-94-7 ]
[ 108-98-5 ]
[ 106695-58-3 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.

20
[ 51991-94-7 ]
[ 106695-49-2 ]
[ 106695-69-6 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.

21
[ 51991-94-7 ]
[ 62-53-3 ]
[ 106695-63-0 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.

22
[ 51991-94-7 ]
[ 67-63-0 ]
[ 106695-53-8 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.

23
[ 51991-94-7 ]
[ 121-50-6 ]
[ 106695-64-1 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.

24
[ 51991-94-7 ]
[ 108-95-2 ]
[ 106695-55-0 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.

25
[ 51991-94-7 ]
[ 76661-92-2 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.
[2]Journal of Heterocyclic Chemistry,2000,vol. 37,p. 95 - 101.

27
[ 97545-54-5 ]
[ 51991-94-7 ]

References: [1]Chemistry of Heterocyclic Compounds,2000,vol. 36,p. 754 - 757.

28
[ 51991-94-7 ]
5-oxo-N-(1,3-thiazol-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide [ No CAS ]

References: [1]Journal of Heterocyclic Chemistry,2000,vol. 37,p. 95 - 101.

29
[ 51991-94-7 ]
5-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide [ No CAS ]

References: [1]Journal of Heterocyclic Chemistry,2000,vol. 37,p. 95 - 101.

30
[ 51991-94-7 ]
ethyl-2-[[(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)carbonyl]amino]acetate [ No CAS ]

References: [1]Journal of Heterocyclic Chemistry,2000,vol. 37,p. 95 - 101.

31
[ 51991-94-7 ]
methyl-2-[[(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)carbonyl]amino]propanoate [ No CAS ]

References: [1]Journal of Heterocyclic Chemistry,2000,vol. 37,p. 95 - 101.

32
[ 51991-94-7 ]
6-[(4-methyl-1-piperazinyl)carbonyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one [ No CAS ]

References: [1]Journal of Heterocyclic Chemistry,2000,vol. 37,p. 95 - 101.

33
[ 51991-94-7 ]
methyl (4s)-3-[(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)carbonyl]-1,3-thiazolidine-4-carboxylate [ No CAS ]

References: [1]Journal of Heterocyclic Chemistry,2000,vol. 37,p. 95 - 101.

34
[ 51991-94-7 ]
N-[(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)carbonyl]-L-phenylalanine [ No CAS ]

References: [1]Journal of Heterocyclic Chemistry,2000,vol. 37,p. 95 - 101.

35
[ 51991-94-7 ]
N-[(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)carbonyl]-S-(+)-trityl-L-cysteine [ No CAS ]

References: [1]Journal of Heterocyclic Chemistry,2000,vol. 37,p. 95 - 101.

36
[ 51991-94-7 ]
[ 106695-47-0 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.

37
[ 51991-94-7 ]
[ 106695-46-9 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 345 - 346.

38
[ 51991-94-7 ]
1-(2-tert-butylphenyl)piperazine dihydrochloride [ No CAS ]
[ 1252655-66-5 ]

Yield	Reaction Conditions	Operation in experiment
47%	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In N,N-dimethyl-formamide; at 20℃;	Example 12 6-[4-(2-tert-Butylphenyl)piperazin-1-yl]carbonyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one A mixture of 1-(2-tert-butylphenyl)piperazine dihydrochloride obtained in Reference Example 1 (500 mg), <strong>[51991-94-7]5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid</strong> (371 mg), 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride (395 mg), 1-hydroxy-1H-benzotriazole monohydrate (315 mg), triethylamine (0.558 mL), and N,N-dimethylformamide (10 mL) was stirred at room temperature for over-night. Water was added to the reaction solution, and the mixture was extracted with ethyl acetate. The ethyl acetate layer was washed with saturated brine, and dried over anhydrous magnesium sulfate. The solvent was evaporated under reduced pressure to provide the title compound (320 mg, 47%) as a colorless solid. 1H NMR (300 MHz, DMSO-d6) delta 1.42 (s, 9H), 2.65-2.72 (m, 1H), 2.78-2.99 (m, 4H), 3.30-3.32 (m, 1H), 3.65-3.69 (m, 1H), 4.53-4.56 (m, 1H), 7.13-7.16 (m, 1H), 7.20-7.25 (m, 1H), 7.30-7.38 (m, 2H), 7.66 (d, J=4.8 Hz, 1H), 8.15 (d, J=4.8 Hz, 1H), 8.21 (s, 1H).

References: [1]Patent: US2012/71489,2012,A1 .Location in patent: Page/Page column 67.

39
[ 111-49-9 ]
[ 51991-94-7 ]
6-(azepane-1-carbonyl)-5H-thiazolo[3,2-a]pyrimidin-5-one [ No CAS ]

References: [1]Journal of the American Chemical Society,2018,vol. 140,p. 14915 - 14925.

40
[ 123-90-0 ]
[ 51991-94-7 ]
6-(thiomorpholine-4-carbonyl)-5H-thiazolo[3,2-a]pyrimidin-5-one [ No CAS ]

References: [1]Journal of the American Chemical Society,2018,vol. 140,p. 14915 - 14925.

41
[ 503-29-7 ]
[ 51991-94-7 ]
6-(azetidine-1-carbonyl)-5H-thiazolo[3,2-a]pyrimidin-5-one [ No CAS ]

References: [1]Journal of the American Chemical Society,2018,vol. 140,p. 14915 - 14925.

Historical Records

Technical Information

• Acyl Group Substitution • Arndt-Eistert Homologation • Chan-Lam Coupling Reaction • Complex Metal Hydride Reductions • Hunsdiecker-Borodin Reaction • Hydride Reductions • Lawesson's Reagent • Passerini Reaction • Preparation of Amines • Preparation of Carboxylic Acids • Reactions of Amines • Reactions of Carboxylic Acids • Schmidt Reaction • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Specialized Acylation Reagents-Ketenes • Ugi Reaction

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P222	Do not allow contact with air.
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P234	Keep only in original container.
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P285	In case of inadequate ventilation wear respiratory protection.
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Response
Code	Phrase
P301	IF SWALLOWED:
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P321
P322
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P337	If eye irritation persists:
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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.
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P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
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P370	In case of fire:
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P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
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P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
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:
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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.
Storage
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P401
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P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
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P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
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H250	Catches fire spontaneously if exposed to air
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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
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Health hazards
Code	Phrase
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Code	Phrase
H400	Very toxic to aquatic life
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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

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CAS No.: 51991-94-7

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CAS No.: 51991-94-7

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Product Details of [ 51991-94-7 ]

Safety of [ 51991-94-7 ]

Application In Synthesis of [ 51991-94-7 ]

[ 51991-94-7 ] Synthesis Path-Downstream 1~41

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Technical Information

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Precautionary Statements-General

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