N-(3,4-Difluorophenyl)-2-({2-[(1-hydroxyethylidene)amino]-4,5-dimethylthiophene-3-carbonyl}oxy)ethanimidic acid

Base Information

• Chemical Name: N-(3,4-Difluorophenyl)-2-({2-[(1-hydroxyethylidene)amino]-4,5-dimethylthiophene-3-carbonyl}oxy)ethanimidic acid
• CAS No.: 5729-16-8
• Molecular Formula: C14H16N2O
• Molecular Weight: 228.294
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID30972807
• Wikidata: Q82956631
• Mol file: 5729-16-8.mol

Synonyms:DTXSID30972807;AKOS033503001;AB00741010-01;Z16504729;N-(3,4-Difluorophenyl)-2-({2-[(1-hydroxyethylidene)amino]-4,5-dimethylthiophene-3-carbonyl}oxy)ethanimidic acid

Chemical Property of N-(3,4-Difluorophenyl)-2-({2-[(1-hydroxyethylidene)amino]-4,5-dimethylthiophene-3-carbonyl}oxy)ethanimidic acid

Chemical Property:

• Vapor Pressure: 1.56E-06mmHg at 25°C
• Refractive Index: 1.647
• Boiling Point: 397.7 °C at 760 mmHg
• Flash Point: 194.3 °C
• PSA: 47.28000
• Density: 1.165g/cm³
• LogP: 3.54370
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 382.07988449
• Heavy Atom Count: 26
• Complexity: 551

Purity/Quality:

99% ^*data from raw suppliers

N-(4-Methoxybenzyl)benzene-1,2-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC(=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C)C

Technology Process of N-(3,4-Difluorophenyl)-2-({2-[(1-hydroxyethylidene)amino]-4,5-dimethylthiophene-3-carbonyl}oxy)ethanimidic acid

There total 13 articles about N-(3,4-Difluorophenyl)-2-({2-[(1-hydroxyethylidene)amino]-4,5-dimethylthiophene-3-carbonyl}oxy)ethanimidic acid 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: 74.0%

4'-methoxy-3-nitro-[1,1'-biphenyl]-4-amine (2221-02-5) → N-(4-methoxy-benzyl)-benzene-1,2-diamine (5729-16-8)

Guidance literature:

With acetic acid; zinc; In methanol; at 20 ℃; for 24h;

DOI:10.1002/ejoc.201900463

Reference yield: 59.0%

4-methoxy-benzylamine (2393-23-9) + ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → N-(4-methoxy-benzyl)-benzene-1,2-diamine (5729-16-8)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 21h; Reflux;

DOI:10.1002/anie.201207410

Reference yield: 48.0%

1,2-diamino-benzene (95-54-5) + 4-Methoxybenzyl alcohol (105-13-5) → N-(4-methoxy-benzyl)-benzene-1,2-diamine (5729-16-8)

Guidance literature:

With potassium tert-butylate; C₂₂H₃₄Cl₃CrF₃N₅P₂; In 1,4-dioxane; at 150 ℃; for 18h; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.202001704

upstream raw materials:

2-<(4-Methoxyphenyl-methin)amino>anilin

N-(4-methoxyphenylmethyl)-2-nitroaniline

4-methoxy-benzaldehyde

4-methoxy-benzylamine

Downstream raw materials:

2-(tert-butylamino)-1-(p-methoxybenzyl)benzimidazole

2-(cyclohexylamino)-1-(p-methoxybenzyl)benzimidazole

2-(4-methoxyphenyl)-1H-benzimidazole

1-(4''-methoxybenzyl)-1H-benzo[d][1.2.3]triazole

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 5729-16-8 CHEMBRDG-BB 9071320

Send

Send

Metric Ton KG G Pound L ML

Send

Send