5-Ethylthiophene-2-carbohydrazide

Base Information

• Chemical Name: 5-Ethylthiophene-2-carbohydrazide
• CAS No.: 676348-42-8
• Molecular Formula: C7H10N2OS
• Molecular Weight: 170.235
• Hs Code.: 2934999090
• European Community (EC) Number: 673-251-2
• DSSTox Substance ID: DTXSID30374549
• Wikidata: Q82163165
• Mol file: 676348-42-8.mol

Synonyms:5-ethylthiophene-2-carbohydrazide;676348-42-8;5-Ethyl-thiophene-2-carboxylic acid hydrazide;SCHEMBL16492018;5-ethyl-2-thiophenecarbohydrazide;DTXSID30374549;BBL016311;MFCD01627999;STK399958;AKOS003235652;FS-6227;SB86268;CS-0213379;402601-10-9

Chemical Property of 5-Ethylthiophene-2-carbohydrazide

Chemical Property:

• PSA: 83.36000
• LogP: 2.00520
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 170.05138412
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

98%min ^*data from raw suppliers

5-ethylthiophene-2-carbohydrazide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(S1)C(=O)NN

Technology Process of 5-Ethylthiophene-2-carbohydrazide

There total 2 articles about 5-Ethylthiophene-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: 70.0%

ethyl 5-ethylthiophene-2-carboxylate (773135-08-3) → 5-ethylthiophene-2-carbohydrazide (676348-42-8)

Guidance literature:

With hydrazine hydrate; In ethanol; for 12h; Reflux; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.tetlet.2018.01.047

Reference yield:

2-ethylthiophene (872-55-9) → 5-ethylthiophene-2-carbohydrazide (676348-42-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / tetrahydrofuran; hexanes / 1 h / -78 °C / Inert atmosphere

1.2: 1 h / -78 °C / Inert atmosphere

2.1: hydrazine hydrate / ethanol / 12 h / Reflux; Inert atmosphere

With n-butyllithium; hydrazine hydrate; In tetrahydrofuran; hexanes; ethanol;

DOI:10.1021/jo200246q

Reference yield: 87.0%

1-(2-hydroxy-4-methoxyphenyl)ethanone (552-41-0) + 5-ethylthiophene-2-carbohydrazide (676348-42-8) → 5-ethyl-N’-(1-(2-hydroxy-4-methoxyphenyl)ethylidene)-thiophene-2-carbohydrazide (955949-97-0)

Guidance literature:

at 75 ℃;

DOI:10.1016/j.tetlet.2008.02.096

upstream raw materials:

2-ethylthiophene

ethyl 5-ethylthiophene-2-carboxylate

Downstream raw materials:

5-ethyl-N’-(1-(2-hydroxy-4-methoxyphenyl)ethylidene)-thiophene-2-carbohydrazide

(5-ethyl-2-thienyl) (2-acetyl-5-methoxy-1-phenyl) ketone

C₆₂H₄₈BN₃O₃S₂

C₅₉H₄₃BN₂O₄S₂

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