2-Chloro-8-methoxyquinazoline

Base Information

• Chemical Name: 2-Chloro-8-methoxyquinazoline
• CAS No.: 944060-66-6
• Molecular Formula: C9H7ClN2O
• Molecular Weight: 194.62
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70601705
• Wikidata: Q82498500
• Mol file: 944060-66-6.mol

Synonyms:2-CHLORO-8-METHOXYQUINAZOLINE;944060-66-6;2-CHLORO-8-METHOXY-QUINAZOLINE;8-Methoxy-2-chloroquinazoline;SCHEMBL558755;DTXSID70601705;2-chloranyl-8-methoxy-quinazoline;OENQTKSMBDNMQX-UHFFFAOYSA-N;MFCD09907928;AKOS006313969;SB40135;AS-47359;DB-079873;AM20041447;CS-0045094;F13425;A844944;J-508997

Chemical Property of 2-Chloro-8-methoxyquinazoline

Chemical Property:

• Vapor Pressure: 0.159mmHg at 25°C
• Refractive Index: 1.628
• Boiling Point: 221.4 °C at 760 mmHg
• PKA: -0.18±0.30(Predicted)
• Flash Point: 87.7 °C
• PSA: 35.01000
• Density: 1.333 g/cm³
• LogP: 2.29180
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 194.0246905
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

97% ^*data from raw suppliers

2-chloro-8-methoxyquinazoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC2=CN=C(N=C21)Cl

Technology Process of 2-Chloro-8-methoxyquinazoline

There total 4 articles about 2-Chloro-8-methoxyquinazoline 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: 89.0%

8-methoxyquinazolin-2-ol (858452-80-9) → 2-chloro-8-methoxyquinazoline (944060-66-6)

Guidance literature:

With trichlorophosphate; at 0 - 145 ℃; for 1.35h; Neat (no solvent);

Reference yield:

3-methoxy 2-nitrobenzaldehyde (53055-05-3) → 2-chloro-8-methoxyquinazoline (944060-66-6)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride; iron; acetic acid / ethanol / 0.33 h / 0 °C / Heating / reflux

2: 1-methyl-pyrrolidin-2-one / ammonium acetate / 0.75 - 1 h / 160 °C

3: trichlorophosphate / 1.35 h / 0 - 145 °C / Neat (no solvent)

With 1-methyl-pyrrolidin-2-one; hydrogenchloride; iron; acetic acid; trichlorophosphate; ammonium acetate; In ethanol;

Reference yield:

2-amino-3-methoxy-benzaldehyde (70127-96-7) → 2-chloro-8-methoxyquinazoline (944060-66-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1-methyl-pyrrolidin-2-one / ammonium acetate / 0.75 - 1 h / 160 °C

2: trichlorophosphate / 1.35 h / 0 - 145 °C / Neat (no solvent)

With 1-methyl-pyrrolidin-2-one; trichlorophosphate; ammonium acetate;

upstream raw materials:

8-methoxyquinazolin-2-ol

3-methoxy 2-nitrobenzaldehyde

2-amino-3-methoxy-benzaldehyde

Downstream raw materials:

2-chloro-8-hydroxyquinazoline

4-({2-[(1H-benzo[d]imidazol-6-yl)amino]quinazolin-8-yl}oxy)cyclohexanol

tert-butyl 4-((2-chloroquinazolin-8-yl)oxy)piperidine-1-carboxylate

7-bromo-2,5-dichloro-8-methoxy-quinazoline