4-Chlorothieno[3,2-c]pyridine

Base Information

• Chemical Name: 4-Chlorothieno[3,2-c]pyridine
• CAS No.: 27685-94-5
• Molecular Formula: C7H4ClNS
• Molecular Weight: 169.634
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90510885
• Wikidata: Q72459815
• Mol file: 27685-94-5.mol

Synonyms:4-Chlorothieno[3,2-c]pyridine;27685-94-5;THIENO[3,2-C]PYRIDINE, 4-CHLORO-;MFCD01861830;4-Chlorothieno[3,2-c]-pyridine;4-Chlorothieno[3.2.c]-pyridine;4-Chloro-thieno[3,2-c]pyridine;SCHEMBL760085;DTXSID90510885;VFPFMOXMHVQFNR-UHFFFAOYSA-N;AMY15239;SC1103;AKOS004912330;CCG-321099;CS-W002843;PB27550;4-Chlorothieno[3,2-c]-pyridine, 97%;AC-22863;SY004073;TS-02305;FT-0618268;NS00125948;EN300-42299;A913175;J-515209;J-650314;F1904-0006;Z425813692

Chemical Property of 4-Chlorothieno[3,2-c]pyridine

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Melting Point: 97-100 °C
• Refractive Index: 1.696
• Boiling Point: 296.5 °C at 760 mmHg
• PKA: -0.26±0.30(Predicted)
• Flash Point: 133.118 °C
• PSA: 41.13000
• Density: 1.435 g/cm³
• LogP: 2.94970
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 168.9752980
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

97% ^*data from raw suppliers

4-Chlorothieno[3,2-c]pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 25-36
• Safety Statements: 26-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C2=C1SC=C2)Cl

Technology Process of 4-Chlorothieno[3,2-c]pyridine

There total 4 articles about 4-Chlorothieno[3,2-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: 85.0%

4-oxo-4,5-dihydrothieno[3,2-c]pyridine (27685-92-3) → 4-chlorothieno[3,2-c]pyridine (27685-94-5)

Guidance literature:

With trichlorophosphate; for 2.5h; Heating;

DOI:10.1021/jm00126a002

Reference yield:

3-Thiophene carboxylic acid (88-13-1) → 4-chlorothieno[3,2-c]pyridine (27685-94-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: thionyl chloride / Isopropyl acetate / 18 h / 50 °C

1.2: 1 h / 20 °C

2.1: PPA / 20 - 100 °C

3.1: trichlorophosphate / 1 h / 75 °C

With thionyl chloride; trichlorophosphate; In Isopropyl acetate;

Reference yield:

C9H13NO3S → 4-chlorothieno[3,2-c]pyridine (27685-94-5)

Guidance literature:

Multi-step reaction with 2 steps

1: PPA / 20 - 100 °C

2: trichlorophosphate / 1 h / 75 °C

With trichlorophosphate;

upstream raw materials:

4-oxo-4,5-dihydrothieno[3,2-c]pyridine

3-Thiophene carboxylic acid

Downstream raw materials:

4-hydrazinylthieno[3,2-c]pyridine

4-[4-(1-methyl-1H-pyrazol-5-yl)phenoxy]thieno[3,2-c]pyridine

4-methyl-3-(thieno[3,2-c]pyridin-4-yl)aniline

4-(2-methyl-5-nitrophenyl)thieno[3,2-c]pyridine