CID 121002304

Base Information

• Chemical Name: CID 121002304
• CAS No.: 1184831-17-1
• Molecular Formula: C12H14BrNO5
• Molecular Weight: 332.151
• DSSTox Substance ID: DTXSID101209812
• Mol file: 1184831-17-1.mol

Synonyms:1184831-17-1;DTXSID101209812;1-[4-(3-Bromopropoxy)-5-methoxy-2-nitrophenyl]ethanone

Chemical Property of CID 121002304

Chemical Property:

• PSA: 81.35000
• LogP: 3.49300
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 331.00554
• Heavy Atom Count: 19
• Complexity: 320

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OCCCBr)OC

Technology Process of CID 121002304

There total 3 articles about CID 121002304 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:

1-[4-(3-bromopropoxy)-3-methoxyphenyl]ethanone (3245-49-6) → 1-[5-methoxy-4-(3-bromo-propoxy)-2-nitro-phenyl]-ethanone (1184831-17-1)

Guidance literature:

With sulfuric acid; nitric acid; In water; at 4 - 18 ℃;

Reference yield:

4-(3-chloropropoxy)-3-methoxyacetophenone (58113-30-7) + 1-[4-(3-bromopropoxy)-3-methoxyphenyl]ethanone (3245-49-6) → 1-[5-methoxy-4-(3-bromo-propoxy)-2-nitro-phenyl]-ethanone (1184831-17-1) + 1-[4-(3-chloropropoxy)-5-methoxy-2-nitrophenyl]ethan-1-one (1160707-44-7)

Guidance literature:

With sulfuric acid; nitric acid; In dichloromethane; water; at 4 - 18 ℃; Large scale;

Reference yield:

→ 1-[5-methoxy-4-(3-bromo-propoxy)-2-nitro-phenyl]-ethanone (1184831-17-1)

Guidance literature:

upstream raw materials:

1-[4-(3-bromopropoxy)-3-methoxyphenyl]ethanone

4-(3-chloropropoxy)-3-methoxyacetophenone

Downstream raw materials:

1-[5-methoxy-4-(3-morpholin-4-yl-propoxy)-2-nitro-phenyl]-ethanone

1-[2-amino-5-methoxy-4-(3-morpholin-4-yl-propoxy)-phenyl]-ethanone

6-methoxy-7-(3-morpholin-4-yl-propoxy)-quinolin-4-ol, sodium salt

4-chloro-6-methoxy-7-(3-morpholin-4-yl-propoxy)-quinoline