5-Oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid

Base Information

• Chemical Name: 5-Oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid
• CAS No.: 32084-55-2
• Molecular Formula: C7H6 N2 O3 S
• Molecular Weight: 198.2
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID60365203
• Wikidata: Q82149675
• Mol file: 32084-55-2.mol

Synonyms:32084-55-2;5-Oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid;5-Oxo-2,3-dihydro-5H-pyrimido[2,1-b][1,3]thiazole-6-carboxylic acid;5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid;5-Oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid;2,3-Dihydro-5-oxothiazolo(3,2-a)pyrimidine-6-carboxylic acid;Maybridge1_007514;Oprea1_167599;SCHEMBL760978;HMS562N12;DTXSID60365203;MFCD00085018;AKOS001109397;SDCCGMLS-0066242.P001;BS-25240;CS-0211911;FT-0620739;EN300-14405;Z99601232;5-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid;5-Oxo-2,3-dihydro-5H-[1,3]thiazolo-[3,2-a]pyrimidine-6-carboxylic acid;5-oxo-2,3-dihydro-5H-pyrimido[2,1-b][1,3]thiazole-6-carboxylic acid, AldrichCPR;5-OXO-2,3-DIHYDRO-5H-PYRIMIDO[2,1-B][1,3]THIAZOLE-6-CARBOXYLICACID

Chemical Property of 5-Oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid

Chemical Property:

• Vapor Pressure: 6.86E-07mmHg at 25°C
• Melting Point: 237 °C
• Boiling Point: 381.9°Cat760mmHg
• Flash Point: 184.8°C
• PSA: 97.49000
• Density: g/cm³
• LogP: 0.04720
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 198.00991323
• Heavy Atom Count: 13
• Complexity: 348

Purity/Quality:

99%, ^*data from raw suppliers

5-Oxo-2,3-dihydro-5H-pyrimido[2,1-b][1,3]thiazole-6-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC2=NC=C(C(=O)N21)C(=O)O

Technology Process of 5-Oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid

There total 1 articles about 5-Oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

ethyl 5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]-pyrimidine-6-carboxylate (32084-53-0) → 2,3-dihydro-5(H)-oxothiazolo<3,2-a>pyrimidine-6-carboxylic acid (32084-55-2)

Guidance literature:

With formic acid; methanesulfonic acid; for 5h; Heating;

DOI:10.1039/j39710001527

Reference yield: 49.0%

{2‐azabicyclo[2.1.1]hexan‐1‐yl}methanamine + 2,3-dihydro-5(H)-oxothiazolo<3,2-a>pyrimidine-6-carboxylic acid (32084-55-2) → N‐({2‐benzyl‐2‐azabicyclo[2.1.1]hexan‐1‐yl}methyl)‐5‐oxo‐2H,3H,5H‐[1,3]thiazolo[3,2‐a]pyrimidine‐6‐carboxamide

Guidance literature:

2,3-dihydro-5(H)-oxothiazolo<3,2-a>pyrimidine-6-carboxylic acid; With 1-[(1-(cyano-?2-?ethoxy-?2-?oxoethylidenaminooxy)?dimethylamino-?morpholino)]-uronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 0.5h;

{2‐azabicyclo[2.1.1]hexan‐1‐yl}methanamine; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1021/acsmedchemlett.0c00486

Reference yield:

2,3-dihydro-5(H)-oxothiazolo<3,2-a>pyrimidine-6-carboxylic acid (32084-55-2) + 4-aminoethylbenzene (589-16-2) → C15H15N3O2S

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; for 16h;

upstream raw materials:

ethyl 5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]-pyrimidine-6-carboxylate

Downstream raw materials:

5-Oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid cyclohexylamide

(5-Oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidin-6-yl)-carbamic acid phenyl ester

5-Oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid N'-phenyl-hydrazide

5-Oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid (3-trifluoromethyl-phenyl)-amide

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