5-Methyl-4,5,6,7-tetrahydrothiazolo[4,5-c]pyridine

Base Information

• Chemical Name: 5-Methyl-4,5,6,7-tetrahydrothiazolo[4,5-c]pyridine
• CAS No.: 94391-50-1
• Molecular Formula: C₇H₁₀N₂S
• Molecular Weight: 154.236
• DSSTox Substance ID: DTXSID80464000
• Wikidata: Q82289158
• Mol file: 94391-50-1.mol

Synonyms:94391-50-1;5-Methyl-4,5,6,7-tetrahydrothiazolo[4,5-c]pyridine;5-Methyl-4H,5H,6H,7H-[1,3]thiazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;SCHEMBL740117;DTXSID80464000;RUTIJZLVPLULFO-UHFFFAOYSA-N;CS-0057949;FT-0755553

Chemical Property of 5-Methyl-4,5,6,7-tetrahydrothiazolo[4,5-c]pyridine

Chemical Property:

• Boiling Point: 245.4±30.0 °C(Predicted)
• PKA: 6.76±0.20(Predicted)
• PSA: 44.37000
• Density: 1.186±0.06 g/cm3(Predicted)
• LogP: 1.06890
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 154.05646950
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

97% ^*data from raw suppliers

4,5,6,7-tetrahydro-5-methyl-Thiazolo[4,5-c]pyridine 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=C(C1)N=CS2

Technology Process of 5-Methyl-4,5,6,7-tetrahydrothiazolo[4,5-c]pyridine

There total 6 articles about 5-Methyl-4,5,6,7-tetrahydrothiazolo[4,5-c]pyridine 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:

5-methyl-thiazolo[4,5-c]pyridin-5-ium → 5-methyl-4,5,6,7-tetrahydrothiazolo[4,5-c]pyridine (94391-50-1)

Guidance literature:

With methanol; sodium tetrahydroborate; at 0 - 20 ℃; for 1h;

Reference yield:

5-methyl-thiazolo[4,5-c]pyridin-5-ium; iodide → 5-methyl-4,5,6,7-tetrahydrothiazolo[4,5-c]pyridine (94391-50-1)

Guidance literature:

With sodium tetrahydroborate; In water;

DOI:10.3987/COM-04-10071

Reference yield:

thiazolo[4,5-c]pyridine (273-75-6) → 5-methyl-4,5,6,7-tetrahydrothiazolo[4,5-c]pyridine (94391-50-1)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylformamide / 4 h / 80 °C

2: 596 mg / aq. NaBH₄ / methanol / 1 h / 20 °C

With sodium tetrahydroborate; In methanol; N,N-dimethyl-formamide;

DOI:10.1021/jm049884d

upstream raw materials:

thiazolo[4,5-c]pyridine

3-(tert-butoxycarbonylamino)pyridine

3-(tert-Butoxycarbonylamino)-4-mercaptopyridine