6-(Benzyloxy)-4-chloro-7-methoxyquinazoline

Base Information

• Chemical Name: 6-(Benzyloxy)-4-chloro-7-methoxyquinazoline
• CAS No.: 286371-65-1
• Molecular Formula: C16H13ClN2O2
• Molecular Weight: 300.744
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80465572
• Wikidata: Q72453097
• Mol file: 286371-65-1.mol

Synonyms:286371-65-1;6-(Benzyloxy)-4-chloro-7-methoxyquinazoline;4-CHLORO-7-METHOXY-6-BENZYLOXYQUINAZOLINE;4-chloro-7-methoxy-6-phenylmethoxyquinazoline;4-Chloro-6-benzyloxy-7-methoxyquinazoline;6-benzyloxy-4-chloro-7-methoxyquinazoline;SCHEMBL295891;DTXSID80465572;RQNQROBHHNEDMF-UHFFFAOYSA-N;MFCD10697148;AKOS022173444;AB59111;AS-48567;CS-0434504;FT-0696302;F51247;A876673;Quinazoline, 4-chloro-7-methoxy-6-(phenylmethoxy)-

Chemical Property of 6-(Benzyloxy)-4-chloro-7-methoxyquinazoline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.639
• Boiling Point: 452.06 °C at 760 mmHg
• PKA: 0.71±0.30(Predicted)
• Flash Point: 227.198 °C
• PSA: 44.24000
• Density: 1.303 g/cm³
• LogP: 3.87080
• Storage Temp.: 2-8°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 300.0665554
• Heavy Atom Count: 21
• Complexity: 325

Purity/Quality:

97% ^*data from raw suppliers

6-(Benzyloxy)-4-chloro-7-methoxyquinazoline 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)OCC3=CC=CC=C3

Technology Process of 6-(Benzyloxy)-4-chloro-7-methoxyquinazoline

There total 18 articles about 6-(Benzyloxy)-4-chloro-7-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: 99.0%

6-(benzyloxy)-7-methoxyquinazolin-4(3H)-one (286371-64-0) → 6-(benzyloxy)-4-chloro-7-methoxyquinazoline (286371-65-1)

Guidance literature:

6-(benzyloxy)-7-methoxyquinazolin-4(3H)-one; With trichlorophosphate; at 120 ℃; for 3h; Neat (no solvent);

With potassium carbonate; In water; at 20 ℃;

Reference yield:

benzyl bromide (100-39-0) + 6-acetoxy-4-chloro-7-methoxyquinazoline (230955-75-6) → 6-(benzyloxy)-4-chloro-7-methoxyquinazoline (286371-65-1)

Guidance literature:

6-acetoxy-4-chloro-7-methoxyquinazoline; With ammonium hydroxide; In methanol; for 2h; Reflux;

benzyl bromide; With potassium carbonate; In acetone; at 80 ℃; for 2h;

Reference yield:

6-acetoxy-4-chloro-7-methoxyquinazoline (230955-75-6) → 6-(benzyloxy)-4-chloro-7-methoxyquinazoline (286371-65-1)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonia / methanol / 2 h / 20 °C

2: potassium carbonate / acetone / 2 h / 80 °C

With ammonia; potassium carbonate; In methanol; acetone;

DOI:10.1021/acs.jmedchem.8b01763

upstream raw materials:

6-(benzyloxy)-7-methoxyquinazolin-4(3H)-one

Isovanillic acid

3-benzyloxy-4-methoxybenzoic acid benzyl ester

5-benzyloxy-4-methoxy-2-nitrobenzoic acid benzyl ester

Downstream raw materials:

6-(benzyloxy)-7-methoxy-N,N-dimethylquinazolin-4-amine

6-(benzyloxy)-7-methoxy-4-(pyridin-3-yl)quinazoline

7-methoxy-4-pyridin-3-yl-6-(2-quinolin-2-ylethoxy)quinazoline

(R)-2-((7-methoxy-4-(3-(quinoxaline-2-yloxy)-pyrrolidine-1-yl)-quinazoline-6-yl)-oxy)ethyl 4-methylbenzenesulphonate