2-Ethoxybenzoyl isothiocyanate

Base Information

• Chemical Name: 2-Ethoxybenzoyl isothiocyanate
• CAS No.: 28115-88-0
• Molecular Formula: C₁₀H₉NO₂S
• Molecular Weight: 207.253
• DSSTox Substance ID: DTXSID801305510

Synonyms:2-ethoxybenzoyl isothiocyanate;DTXSID801305510;AKOS009075533;28115-88-0

Chemical Property of 2-Ethoxybenzoyl isothiocyanate

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 207.03539970
• Heavy Atom Count: 14
• Complexity: 249

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=CC=CC=C1C(=O)N=C=S

Technology Process of 2-Ethoxybenzoyl isothiocyanate

There total 2 articles about 2-Ethoxybenzoyl isothiocyanate 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:

2-ethoxybenzoyl chloride (42926-52-3) + ammonium thiocyanate (1147550-11-5) → 2-ethoxybenzoyl isothiocyanate (28115-88-0)

Guidance literature:

With polyethylene glycol-400; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1080/10426500490464078

Reference yield:

2-ethoxybenzoic acid (134-11-2) → 2-ethoxybenzoyl isothiocyanate (28115-88-0)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride

2: polyethylene glycol-400 / CH₂Cl₂ / 1 h / 20 °C

With polyethylene glycol-400; thionyl chloride; In dichloromethane;

DOI:10.1080/10426500490464078

Reference yield: 95.0%

1-(2-naphthyloxyacetyl)hydrazine (36304-47-9) + 2-ethoxybenzoyl isothiocyanate (28115-88-0) → 2-ethoxy-N-{N'-[(naphthalen-2-yloxy)-acetyl]-hydrazinocarbothioyl}-benzamide (817202-74-7)

Guidance literature:

In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1080/10426500490464078

upstream raw materials:

2-ethoxybenzoyl chloride

ammonium thiocyanate

2-ethoxybenzoic acid

Downstream raw materials:

2-ethoxy-N-(N'-m-tolyloxyacetyl-hydrazinocarbothioyl)-benzamide

2-ethoxy-N-{N'-[(naphthalen-1-yloxy)-acetyl]-hydrazinocarbothioyl}-benzamide

2-ethoxy-N-{N'-[(4-nitro-phenoxy)-acetyl]-hydrazinocarbothioyl}-benzamide

2-ethoxy-N-{N'-[(naphthalen-2-yloxy)-acetyl]-hydrazinocarbothioyl}-benzamide

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