3-[4-(2-Acetamidopropyl)phenyl]prop-2-enoic acid

Base Information

• Chemical Name: 3-[4-(2-Acetamidopropyl)phenyl]prop-2-enoic acid
• CAS No.: 61630-06-6
• Molecular Formula: C₁₄H₁₇NO₃
• Molecular Weight: 247.294
• DSSTox Substance ID: DTXSID40708634

Synonyms:3-[4-(2-Acetamidopropyl)phenyl]prop-2-enoic acid;61630-06-6;DTXSID40708634;LPAACEMBXFKSRH-UHFFFAOYSA-N;4-(2-acetamidopropyl)-cinnamic acid

Chemical Property of 3-[4-(2-Acetamidopropyl)phenyl]prop-2-enoic acid

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 247.12084340
• Heavy Atom Count: 18
• Complexity: 317

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC=C(C=C1)C=CC(=O)O)NC(=O)C

Technology Process of 3-[4-(2-Acetamidopropyl)phenyl]prop-2-enoic acid

There total 3 articles about 3-[4-(2-Acetamidopropyl)phenyl]prop-2-enoic acid 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:

4-(2-acetylamino-propyl)-benzoic acid (6309-84-8) → 4-(2-Acetamidopropyl)-zimtsaeure (61630-06-6)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) (reduction), (ii) (oxidation)

Reference yield:

N-[2-(4-acetyl-phenyl)-1-methyl-ethyl]-acetamide (61630-03-3) → 4-(2-Acetamidopropyl)-zimtsaeure (61630-06-6)

Guidance literature:

Multi-step reaction with 3 steps

1: (oxidation)

2: (i) (reduction), (ii) (oxidation)

Reference yield:

malonic acid (141-82-2) + 4-(2-Acetamidopropyl)-benzaldehyd (61630-05-5) → 4-(2-Acetamidopropyl)-zimtsaeure (61630-06-6)

Guidance literature:

upstream raw materials:

malonic acid

4-(2-Acetamidopropyl)-benzaldehyd

N-[2-(4-acetyl-phenyl)-1-methyl-ethyl]-acetamide

4-(2-acetylamino-propyl)-benzoic acid

Downstream raw materials:

3-[4-(2-Amino-propyl)-phenyl]-propionic acid ethyl ester

β-<4-(2-Acetamidopropyl)-phenyl>-propionsaeure

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