7a-Methyl-5-oxohexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid

Base Information

• Chemical Name: 7a-Methyl-5-oxohexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid
• CAS No.: 17279-63-9
• Molecular Formula: C₈H₁₁NO₃S
• Molecular Weight: 201.246
• Hs Code.: 2934100090
• NSC Number: 170278
• DSSTox Substance ID: DTXSID30305333
• Mol file: 17279-63-9.mol

Synonyms:17279-63-9;7a-methyl-5-oxohexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid;7a-methyl-5-oxo-hexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid;7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid;7A-methyl-5-oxohexahydropyrrolo[2,1-b]thiazole-3-carboxylic acid;NSC170278;Oprea1_170931;DTXSID30305333;LVAMAFDAANOMGN-UHFFFAOYSA-N;HMS1747O15;MFCD00553439;Pyrrolo[2,1-b]thiazole-3-carboxylic acid, hexahydro-7a-methyl-5-oxo-;STK664086;AKOS001043383;AKOS016050457;NSC-170278;LS-07668;CS-0448370;EN300-08535;SR-01000047091;SR-01000047091-1;Z56944537;F2124-0559;7A-methyl-5-oxohexahydropyrrolo[2,1-b]thiazole-3-carboxylicacid

Chemical Property of 7a-Methyl-5-oxohexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 7.7E-09mmHg at 25°C
• Boiling Point: 436.5°C at 760 mmHg
• Flash Point: 217.8°C
• PSA: 82.91000
• Density: 1.46g/cm³
• LogP: 0.46290
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 201.04596439
• Heavy Atom Count: 13
• Complexity: 281

Purity/Quality:

97% ^*data from raw suppliers

7a-methyl-5-oxo-hexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(=O)N1C(CS2)C(=O)O

Technology Process of 7a-Methyl-5-oxohexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid

There total 4 articles about 7a-Methyl-5-oxohexahydropyrrolo[2,1-b][1,3]thiazole-3-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:

l-cysteine hydrochloride (52-89-1) → 5-Oxo-7a-methyl-2,3,5,6,7,7a-hexahydro-pyrrolo<2,1-β>thiazol-carbonsaeure-(3) (17279-63-9,67505-13-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01227a037

Reference yield:

l-cysteine hydrochloride (52-89-1) + levulinic acid (123-76-2) → 5-Oxo-7a-methyl-2,3,5,6,7,7a-hexahydro-pyrrolo<2,1-β>thiazol-carbonsaeure-(3) (17279-63-9,67505-13-9)

Guidance literature:

With pyridine; ethanol;

DOI:10.1021/ja01536a045

Reference yield:

5-methyl-2-furanone (591-12-8) + L-Cysteine (52-90-4) → 5-Oxo-7a-methyl-2,3,5,6,7,7a-hexahydro-pyrrolo<2,1-β>thiazol-carbonsaeure-(3) (17279-63-9,67505-13-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/jm00312a017

upstream raw materials:

l-cysteine hydrochloride

levulinic acid

5-methyl-2-furanone

L-Cysteine

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