3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carbohydrazide

Base Information

• Chemical Name: 3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carbohydrazide
• CAS No.: 107363-01-9
• Molecular Formula: C₁₃H₁₁N₃OS
• Molecular Weight: 257.316
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40377086
• Wikidata: Q82166144
• Mol file: 107363-01-9.mol

Synonyms:107363-01-9;3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carbohydrazide;3-(1H-pyrrol-1-yl)benzo[b]thiophene-2-carbohydrazide;3-pyrrol-1-yl-1-benzothiophene-2-carbohydrazide;DTXSID40377086;MFCD06200944;AKOS005069880;CS-0321381;FT-0680222;2R-1303;A926949;J-510434

Chemical Property of 3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carbohydrazide

Chemical Property:

• Melting Point: 129-132°C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 88.29000
• Density: 1.42g/cm³
• LogP: 3.38670
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 257.06228316
• Heavy Atom Count: 18
• Complexity: 319

Purity/Quality:

97% ^*data from raw suppliers

3-(1H-Pyrrol-1-yl)-1-benzothiophene-2-carbohydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=C(S2)C(=O)NN)N3C=CC=C3

Technology Process of 3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carbohydrazide

There total 1 articles about 3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carbohydrazide 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: 82.0%

methyl 3-(1-pyrrolyl)-2-amino<1>benzothiophene-3-carboxylate (80066-96-2) → 3-(1-pyrrolyl)-2-hydrazinocarbonyl<1>benzothiophene (107363-01-9)

Guidance literature:

With hydrazine hydrate; In ethanol; for 3h; Heating;

DOI:10.1002/jhet.5570230133

Reference yield:

3-(1-pyrrolyl)-2-hydrazinocarbonyl<1>benzothiophene (107363-01-9) → 4-anilino<1>benzothieno<2,3-e>pyrrolo<1,2-a>pyrazine (107363-19-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 91 percent / NaNO₂ / acetic acid / 3 h / Ambient temperature

2: 89 percent / benzene / 1 h / Heating

3: 66 percent / POCl₃ / 2 h / Heating

With sodium nitrite; trichlorophosphate; In acetic acid; benzene;

DOI:10.1002/jhet.5570230133

Reference yield:

3-(1-pyrrolyl)-2-hydrazinocarbonyl<1>benzothiophene (107363-01-9) → N-benzyl-N'-3-(1-pyrrolyl)<1>benzothien-2-ylurea (107363-04-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 91 percent / NaNO₂ / acetic acid / 3 h / Ambient temperature

2: 91 percent / benzene / Heating

With sodium nitrite; In acetic acid; benzene;

DOI:10.1002/jhet.5570230133

upstream raw materials:

methyl 3-(1-pyrrolyl)-2-amino<1>benzothiophene-3-carboxylate

Downstream raw materials:

4-anilino<1>benzothieno<2,3-e>pyrrolo<1,2-a>pyrazine

N-phenyl-N'-3-(1-pyrrolyl)<1>benzothien-2-ylurea

4-benzylamino<1>benzothieno<2,3-e>pyrrolo<1,2-a>pyrazine

N-benzyl-N'-3-(1-pyrrolyl)<1>benzothien-2-ylurea