4-(3-Fluorophenyl)semicarbazide

Base Information

• Chemical Name: 4-(3-Fluorophenyl)semicarbazide
• CAS No.: 114670-74-5
• Molecular Formula: C7H8FN3O
• Molecular Weight: 169.16
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID00428806
• Wikidata: Q82241639
• Mol file: 114670-74-5.mol

Synonyms:4-(3-FLUOROPHENYL)SEMICARBAZIDE;114670-74-5;n-(3-fluorophenyl)hydrazinecarboxamide;1-amino-3-(3-fluorophenyl)urea;Hydrazinecarboxamide, N-(3-fluorophenyl)-;C7H8FN3O;SCHEMBL5113893;3-amino-1-(3-fluorophenyl)urea;DTXSID00428806;4-(3-fluorophenyl)-semicarbazide;ZLONJOJMYMIGAX-UHFFFAOYSA-N;MFCD00040977;AKOS009159195;AS-65024;CS-0329546;FT-0616584;W18479

Chemical Property of 4-(3-Fluorophenyl)semicarbazide

Chemical Property:

• Melting Point: 133-135 °C
• Refractive Index: 1.618
• PKA: 11.52±0.20(Predicted)
• PSA: 67.15000
• Density: 1.378 g/cm³
• LogP: 1.98510
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 169.06514005
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

4-(3-FLUOROPHENYL)SEMICARBAZIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)NC(=O)NN

Technology Process of 4-(3-Fluorophenyl)semicarbazide

There total 2 articles about 4-(3-Fluorophenyl)semicarbazide 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: 88.4%

phenyl N-(3-fluorophenyl)carbamate → 4-(3-fluorophenyl)semicarbazide (114670-74-5)

Guidance literature:

With hydrazine hydrate; In 1,4-dioxane; water; Reflux;

DOI:10.1002/ardp.201300087

Reference yield:

meta-fluoroaniline (372-19-0) → 4-(3-fluorophenyl)semicarbazide (114670-74-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetone / 3 h / 0 - 20 °C

2: hydrazine hydrate / water; 1,4-dioxane / Reflux

With potassium carbonate; hydrazine hydrate; In 1,4-dioxane; water; acetone;

DOI:10.1002/ardp.201300087

Reference yield: 87.0%

2,2-difluoroacetic anhydride (401-67-2) + 4-(3-fluorophenyl)semicarbazide (114670-74-5) → 3-(difluoromethyl)-4-(3-fluorophenyl)-1H-1,2,4-triazol-5(4H)-one

Guidance literature:

In N,N-dimethyl-formamide; at 30 ℃; for 6h; Inert atmosphere; Green chemistry;

DOI:10.1039/c9ob01865d

upstream raw materials:

meta-fluoroaniline

Refernces

• 1、 Qi, Baohui,Tao, Haiyan,Wu, Di,Bai, Jinying,Shi, Yandan,Gong, Ping. "Synthesis and biological evaluation of 4-phenoxy-6,7-disubstituted quinolines possessing semicarbazone scaffolds as selective c-Met inhibitors". . p. 596 - 609. Retrieved 2013/09/02.