7-Chloro-6-nitrothieno[3,2-b]pyridine

Base Information

• Chemical Name: 7-Chloro-6-nitrothieno[3,2-b]pyridine
• CAS No.: 110651-92-8
• Molecular Formula: C₇H₃ClN₂O₂S
• Molecular Weight: 214.632
• DSSTox Substance ID: DTXSID80557446
• Wikidata: Q82439351
• Mol file: 110651-92-8.mol

Synonyms:7-Chloro-6-nitrothieno[3,2-b]pyridine;110651-92-8;SCHEMBL3548733;DTXSID80557446;RKZKGVJIROTNKJ-UHFFFAOYSA-N;MFCD26383548;AKOS016012501;AS-63115;CS-0145461;C71363;EN300-4428281;A927849

Chemical Property of 7-Chloro-6-nitrothieno[3,2-b]pyridine

Chemical Property:

• Boiling Point: 338.2±37.0 °C(Predicted)
• PKA: 0.25±0.40(Predicted)
• Density: 1.650±0.06 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 213.9603762
• Heavy Atom Count: 13
• Complexity: 223

Purity/Quality:

97% ^*data from raw suppliers

7-Chloro-6-nitrothieno[3,2-b]pyridine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CSC2=C(C(=CN=C21)[N+](=O)[O-])Cl

Technology Process of 7-Chloro-6-nitrothieno[3,2-b]pyridine

There total 2 articles about 7-Chloro-6-nitrothieno[3,2-b]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: 93.0%

6-nitrothieno[3,2-b]pyridin-7-ol (104515-05-1,905735-40-2) → 7-chloro-6-nitrothieno[3,2-b]pyridine (110651-92-8)

Guidance literature:

6-nitrothieno[3,2-b]pyridin-7-ol; With trichlorophosphate; for 1h; Heating / reflux;

With sodium hydrogencarbonate; In dichloromethane; water;

Reference yield:

thieno[3,2-b]pyridin-7-ol (69627-02-7,107818-20-2) → 7-chloro-6-nitrothieno[3,2-b]pyridine (110651-92-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: tetrabutylammonium nitrate / dichloromethane / -5 °C

1.2: -5 - 20 °C

2.1: trichlorophosphate / 1 h / Reflux

With tetrabutylammonium nitrate; trichlorophosphate; In dichloromethane;

Reference yield: 86.0%

7-chloro-6-nitrothieno[3,2-b]pyridine (110651-92-8) + ((1R,4R)-4-aminocyclohexyl)methanol (1467-84-1) → {trans-4-[(6-nitrothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl}methanol (1607589-83-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In isopropyl alcohol; at 90 ℃; for 2h;

upstream raw materials:

6-nitrothieno[3,2-b]pyridin-7-ol

thieno[3,2-b]pyridin-7-ol

Downstream raw materials:

N₇-[cis-4-(1H-1,2,4-triazol-1-yl)cyclohexyl]thieno[3,2-b]pyridine-6,7-diamine

(1R)-1-{1-[cis-4-(1H-1,2,4-triazol-1-yl)cyclohexyl]-1H-imidazo[4,5-d]thieno[3,2-b]pyridin-2-yl}ethanol

trans-4-[(6-nitrothieno[3,2-b]pyridin-7-yl)amino]cyclohexyl methanesulfonate

cis-4-[(6-nitrothieno[3,2-b]pyridin-7-yl)amino]cyclohexanecarbonitrile

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