CID 12271394

Base Information

• Chemical Name: CID 12271394
• CAS No.: 58432-85-2
• Molecular Formula: C₁₁H₁₄INO₃
• Molecular Weight: 335.142
• DSSTox Substance ID: DTXSID601237707
• Mol file: 58432-85-2.mol

Synonyms:58432-85-2;DTXSID601237707;N-[2-(2-Iodo-4,5-dimethoxyphenyl)ethyl]formamide

Chemical Property of CID 12271394

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 335.00184
• Heavy Atom Count: 16
• Complexity: 215

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C(=C1)CCNC=O)I)OC

Technology Process of CID 12271394

There total 1 articles about CID 12271394 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: 59.0%

N-[2-(3,4-dimethoxyphenyl)ethyl]formamide (14301-36-1) → N-(2-iodo-4,5-dimethoxyphenethyl)formamide (58432-85-2)

Guidance literature:

With Iodine monochloride; acetic acid; for 2.2h;

DOI:10.1002/ejoc.201800554

Reference yield: 93.0%

N-(2-iodo-4,5-dimethoxyphenethyl)formamide (58432-85-2) + methyl iodide (74-88-4) → N-(2-iodo-4,5-dimethoxyphenethyl)-N-methylformamide

Guidance literature:

N-(2-iodo-4,5-dimethoxyphenethyl)formamide; With sodium hydride; In tetrahydrofuran; mineral oil; for 0.5h;

methyl iodide; In tetrahydrofuran; mineral oil; at 20 ℃; for 6h;

DOI:10.1002/ejoc.201800554

Reference yield:

N-(2-iodo-4,5-dimethoxyphenethyl)formamide (58432-85-2) → 2-(2-iodo-4,5-dimethoxyphenyl)ethan-1-amine (66384-48-3)

Guidance literature:

With hydrogenchloride; In methanol;

DOI:10.1021/jm00225a002

upstream raw materials:

N-[2-(3,4-dimethoxyphenyl)ethyl]formamide

Downstream raw materials:

2-(2-iodo-4,5-dimethoxyphenyl)ethan-1-amine

Acetic acid 2-acetoxy-5-(2-acetylamino-ethyl)-4-iodo-phenyl ester