Formamide, N-[2-[3-methoxy-4-(2-propynyloxy)phenyl]ethyl]-

Base Information

• Chemical Name: Formamide, N-[2-[3-methoxy-4-(2-propynyloxy)phenyl]ethyl]-
• CAS No.: 374728-19-5
• Molecular Formula: C13H15NO3
• Molecular Weight: 233.267
• DSSTox Substance ID: DTXSID00464067
• Wikidata: Q82289251
• Mol file: 374728-19-5.mol

Synonyms:374728-19-5;Formamide, N-[2-[3-methoxy-4-(2-propynyloxy)phenyl]ethyl]-;SCHEMBL1548670;DTXSID00464067;RGJPLNVAOFLJGL-UHFFFAOYSA-N;n[2-(3-methoxy-4-prop-2-ynyloxy-phenyl)-ethyl]-formamide;N-[2-(3-methoxy-4-prop-2-ynyloxy-phenyl)-ethyl]-formamide

Chemical Property of Formamide, N-[2-[3-methoxy-4-(2-propynyloxy)phenyl]ethyl]-

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 233.10519334
• Heavy Atom Count: 17
• Complexity: 271

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)CCNC=O)OCC#C

Technology Process of Formamide, N-[2-[3-methoxy-4-(2-propynyloxy)phenyl]ethyl]-

There total 4 articles about Formamide, N-[2-[3-methoxy-4-(2-propynyloxy)phenyl]ethyl]- 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: 98.0%

N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]formamide (282721-32-8) + propargyl bromide (106-96-7) → N-[2-(3-methoxy-4-(prop-2-ynyloxy)phenyl)ethyl]formamide (374728-19-5)

Guidance literature:

With sodium methylate;

DOI:10.2533/000942903777678542

Reference yield:

(E)-2-methoxy-4-(2-nitrovinyl)phenol (22568-51-0) → N-[2-(3-methoxy-4-(prop-2-ynyloxy)phenyl)ethyl]formamide (374728-19-5)

Guidance literature:

Multi-step reaction with 4 steps

1: NaBH₄

2: H₂ / Pd/C

3: 54 percent / Ac₂O

4: 98 percent / NaOMe

With sodium tetrahydroborate; hydrogen; sodium methylate; acetic anhydride; palladium on activated charcoal;

DOI:10.2533/000942903777678542

Reference yield:

2-methoxy-4-(2-nitroethyl)phenol (528594-30-1) → N-[2-(3-methoxy-4-(prop-2-ynyloxy)phenyl)ethyl]formamide (374728-19-5)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂ / Pd/C

2: 54 percent / Ac₂O

3: 98 percent / NaOMe

With hydrogen; sodium methylate; acetic anhydride; palladium on activated charcoal;

DOI:10.2533/000942903777678542

upstream raw materials:

N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]formamide

propargyl bromide

3-Methoxytyramine

(E)-2-methoxy-4-(2-nitrovinyl)phenol

Downstream raw materials:

4-(2-isocyanoethyl)-2-methoxy-1-(prop-2-ynyloxy)benzene

2-(3,4-dichloro-phenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynyloxy-phenyl)-ethyl]-acetamide

C₂₁H₂₃NO₄S

2-(4-ethyl-phenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynyloxy-phenyl)-ethyl]-acetamide