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5-(1,1-Dimethylethyl) 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate

5-(1,1-Dimethylethyl) 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate structure

CAS No:
1053656-51-1
Formula:
C14H20N2O4S
Chemical Name:
5-(1,1-Dimethylethyl) 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate
Synonyms:
Thiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylic acid,6,7-dihydro-,5-(1,1-dimethylethyl) 2-ethyl ester;5-(1,1-Dimethylethyl) 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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5-(1,1-Dimethylethyl) 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate Basic Attributes

Molecular Weight：

312.3846

Exact Mass：

312.38

DSSTox ID：

DTXSID00670505

HScode：

2934999090

Characteristics

PSA：

XLogP3：

2.3

Density：

1.241

Boiling Point：

429.0±55.0 °C(Predicted)

Flash Point：

213.3±31.5 °C

Refractive Index：

1.546

5-(1,1-Dimethylethyl) 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate Use and Manufacturing

Compound 18 9 (4.0g, 14.4mmol) was dissolved in IPA (25mL). 20 Ethyl thioxamate (1.60g, 12.0mmol) and 146 NaHCOCompound 18 9 (4.0g, 14.4mmol) was dissolved in IPA (25mL). 20 Ethyl thioxamate (1.60g, 12.0mmol) and 146 NaHCOTo a solution of 145 10 (2.23g, 7.1mmol) in 148 AcOEt (15mL) was added 149 trifluoroacetic acid (1.6mL, 21.3mmol). The mixture was stirred at room temperature for 3h. Then, the solution was evaporated, and the residue was triturated with Et2O, filtrated and dried in vacuo to give compound 21 11 as a paint yellow solid (1.62g, 91%), which is pure enough for the next step. mp: 148-151C; 1H NMR (300MHz, CDCl3): delta 4.32 (s, 2H), 4.21 (m, 5H), 3.32 (s, 2H), 2.76 (s, 2H), 1.41 (s, 2H), 1.32 (s, 3H); MS (ESI) m/z: 213.2 [M+H]+.

Computed Properties

Molecular Weight:312.39
XLogP3:2.3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:312.11437830
Monoisotopic Mass:312.11437830
Topological Polar Surface Area:97
Heavy Atom Count:21
Complexity:410
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Latest News on 5-(1,1-Dimethylethyl) 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate

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Guide of 5-(1,1-Dimethylethyl) 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
Latest News
Learn More Other Chemicals

5-(1,1-Dimethylethyl) 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate

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