4-Hydrazino-2-(trifluoromethyl)quinazoline

Base Information

• Chemical Name: 4-Hydrazino-2-(trifluoromethyl)quinazoline
• CAS No.: 154136-31-9
• Molecular Formula: C9H7F3N4
• Molecular Weight: 228.17400
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID40363080
• Wikidata: Q82146637
• ChEMBL ID: CHEMBL1607005
• Mol file: 154136-31-9.mol

Synonyms:4-hydrazino-2-(trifluoromethyl)quinazoline;154136-31-9;4-hydrazinyl-2-(trifluoromethyl)quinazoline;[2-(trifluoromethyl)quinazolin-4-yl]hydrazine;(2-Trifluoromethyl-quinazolin-4-yl)-hydrazine;4-Hydrazino-2-trifluoromethylquinazoline;MLS001004038;SCHEMBL4643539;CHEMBL1607005;DTXSID40363080;HMS2704L03;MFCD00793693;AKOS001076201;AKOS030241118;SMR000377760;BB 0219865;CS-0231889;EN300-12574;10L-070;J-515459;Z85922615

Chemical Property of 4-Hydrazino-2-(trifluoromethyl)quinazoline

Chemical Property:

• Melting Point: 258-261°
• Boiling Point: 295.9±50.0 °C(Predicted)
• PKA: -2.80±0.20(Predicted)
• PSA: 63.83000
• Density: 1.56±0.1 g/cm3(Predicted)
• LogP: 2.70750
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 228.06228073
• Heavy Atom Count: 16
• Complexity: 245

Purity/Quality:

98%min ^*data from raw suppliers

4-Hydrazino-2-(trifluoromethyl)quinazoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NN

Technology Process of 4-Hydrazino-2-(trifluoromethyl)quinazoline

There total 5 articles about 4-Hydrazino-2-(trifluoromethyl)quinazoline 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: 56.0%

4-chloro-2-trifluoromethyl quinazoline (52353-35-2) → 4-hydrazino-2-trifluoromethylquinazoline (154136-31-9)

Guidance literature:

With potassium carbonate; hydrazine; In tetrahydrofuran; at 20 ℃; for 2h;

Reference yield:

N-(trifluoroacetyl)anthranilic acid (19165-29-8) → 4-hydrazino-2-trifluoromethylquinazoline (154136-31-9)

Guidance literature:

Multi-step reaction with 4 steps

1: Ac₂O / 1 h / Heating

2: AcONH₄ / 7 h / 220 °C

3: POCl₃ / 3 h / Heating

4: NH₂NH₂ / tetrahydrofuran / 1 h / 20 °C

With ammonium acetate; acetic anhydride; hydrazine; trichlorophosphate; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2003.08.047

Reference yield:

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 4-hydrazino-2-trifluoromethylquinazoline (154136-31-9)

Guidance literature:

Multi-step reaction with 5 steps

1: tetrahydrofuran / 2 h / 20 °C

2: Ac₂O / 1 h / Heating

3: AcONH₄ / 7 h / 220 °C

4: POCl₃ / 3 h / Heating

5: NH₂NH₂ / tetrahydrofuran / 1 h / 20 °C

With ammonium acetate; acetic anhydride; hydrazine; trichlorophosphate; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2003.08.047

upstream raw materials:

4-chloro-2-trifluoromethyl quinazoline

N-(trifluoroacetyl)anthranilic acid

anthranilic acid

2-trifluoromethyl-4H-3,1-benzoxazin-4-one