Benzenecarbothioamide, N-hydroxy-2-methoxy-N-(phenylmethyl)-

Base Information

• Chemical Name: Benzenecarbothioamide, N-hydroxy-2-methoxy-N-(phenylmethyl)-
• CAS No.: 93979-07-8
• Molecular Formula: C₁₅H₁₅NO₂S
• Molecular Weight: 273.356
• DSSTox Substance ID: DTXSID60343748
• Wikidata: Q82115226
• Mol file: 93979-07-8.mol

Synonyms:Benzenecarbothioamide, N-hydroxy-2-methoxy-N-(phenylmethyl)-;93979-07-8;DTXSID60343748;N-benzyl-o-methoxybenzothiohydroxamic acid;N-Benzyl-N-hydroxy-2-methoxybenzenecarbothioamide #

Chemical Property of Benzenecarbothioamide, N-hydroxy-2-methoxy-N-(phenylmethyl)-

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 273.08234989
• Heavy Atom Count: 19
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1C(=S)N(CC2=CC=CC=C2)O

Technology Process of Benzenecarbothioamide, N-hydroxy-2-methoxy-N-(phenylmethyl)-

There total 5 articles about Benzenecarbothioamide, N-hydroxy-2-methoxy-N-(phenylmethyl)- 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:

N-Acetoxy-N-benzyl-2-methoxy-thiobenzamide (95096-23-4) → N-benzyl-o-methoxybenzothiohydroxamic acid (93979-07-8)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 50 ℃; for 6h; Yield given; pH ca. 8-9;

DOI:10.1055/s-1984-30981

Reference yield:

N-benzyl-o-methoxybenzohydroxamic acid (85407-75-6) → N-benzyl-o-methoxybenzothiohydroxamic acid (93979-07-8)

Guidance literature:

With Lawessons reagent;

DOI:10.1039/P29840001511

Reference yield:

N-Acetoxy-N-benzyl-2-methoxy-benzamide (95096-15-4) → N-benzyl-o-methoxybenzothiohydroxamic acid (93979-07-8)

Guidance literature:

Multi-step reaction with 2 steps

1: Lawesson reagent / CH₂Cl₂ / 6 h / 55 - 60 °C

2: aq. NaOH / tetrahydrofuran / 6 h / 50 °C / pH ca. 8-9

With Lawessons reagent; sodium hydroxide; In tetrahydrofuran; dichloromethane;

DOI:10.1055/s-1984-30981

upstream raw materials:

N-benzyl-o-methoxybenzohydroxamic acid

N-Acetoxy-N-benzyl-2-methoxy-thiobenzamide

N-Acetoxy-N-benzyl-2-methoxy-benzamide

N-benzyl hydroxylalmine