4-Chloro-7-methoxy-6-nitroquinazoline

Base Information

• Chemical Name: 4-Chloro-7-methoxy-6-nitroquinazoline
• CAS No.: 55496-69-0
• Molecular Formula: C9H6ClN3O3
• Molecular Weight: 239.618
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70440792
• Wikidata: Q82257201
• Mol file: 55496-69-0.mol

Synonyms:4-chloro-7-methoxy-6-nitroquinazoline;55496-69-0;4-chloro-7-methoxy-6-nitro-quinazoline;SCHEMBL159761;AMY7380;DTXSID70440792;MJFJWOAETHEGGW-UHFFFAOYSA-N;CS-B1283;MFCD11869864;AKOS016001555;SB13583;CS-13108;FT-0698587;O11223;A870177

Chemical Property of 4-Chloro-7-methoxy-6-nitroquinazoline

Chemical Property:

• Boiling Point: 424.6±40.0 °C(Predicted)
• PKA: 0.53±0.70(Predicted)
• PSA: 80.83000
• Density: 1.518±0.06 g/cm3(Predicted)
• LogP: 2.72320
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 239.0097688
• Heavy Atom Count: 16
• Complexity: 273

Purity/Quality:

98% ^*data from raw suppliers

4-Chloro-7-methoxy-6-nitroquinazoline 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)N=CN=C2Cl)[N+](=O)[O-]

Technology Process of 4-Chloro-7-methoxy-6-nitroquinazoline

There total 9 articles about 4-Chloro-7-methoxy-6-nitroquinazoline 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: 99.0%

7-methoxy-6-nitroquinazolin-4(3H)-one (1012057-47-4) → 4-chloro-7-methoxy-6-nitroquinazoline (55496-69-0)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; acetonitrile; at 80 ℃; for 1h; Cooling with ice;

Reference yield: 61.0%

→ 4-chloro-7-methoxy-6-nitroquinazoline (55496-69-0)

Guidance literature:

Reference yield:

4-fluoroanthranilic acid (446-32-2) → 4-chloro-7-methoxy-6-nitroquinazoline (55496-69-0)

Guidance literature:

Multi-step reaction with 4 steps

1.1: ethanol / Reflux

2.1: nitric acid; sulfuric acid / 72 h / 0 - 100 °C

3.1: sodium / 0.17 h / Inert atmosphere

3.2: 3 h / Inert atmosphere; Reflux

4.1: thionyl chloride / N,N-dimethyl-formamide / 4 h / Reflux

With thionyl chloride; sulfuric acid; nitric acid; sodium; In ethanol; N,N-dimethyl-formamide;

upstream raw materials:

7-methoxy-6-nitroquinazolin-4(3H)-one

7-chloro-6-nitro-4(3H)-quinazolinone

7-fluoro-3H-quinazolin-4-one

4-fluoroanthranilic acid

Downstream raw materials:

N-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-7-methoxy-6-nitroquinazolin-4-amine

N⁴-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-7-methoxyquinazoline-4,6-diamine

C₃₀H₂₃FN₆O₃

(3aR,6aR)-N-(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)-7-methoxyquinazolin-6-yl)-1-methylhexahydropyrrolo[3 ,4-b]pyrrole-5(1 H)-carboxamide