N-(3-phenoxycinnamyl)acetohydroxamic acid

Base Information

• Chemical Name: N-(3-phenoxycinnamyl)acetohydroxamic acid
• CAS No.: 106328-57-8
• Molecular Formula: C17H17 N O3
• Molecular Weight: 283.327
• Hs Code.: 2924299090
• UNII: ZK4N9HRN7L
• Nikkaji Number: J128.632C,J501.074H
• Wikidata: Q76386636
• Pharos Ligand ID: CFT4SKRVQWQH
• ChEMBL ID: CHEMBL314360
• Mol file: 106328-57-8.mol

Synonyms:BW A4C;BW-A4C;BW4C;BWA 4C;BWA-4C;N-(3-phenoxycinnamyl)acetohydroxamic acid

Chemical Property of N-(3-phenoxycinnamyl)acetohydroxamic acid

Chemical Property:

• Vapor Pressure: 1.92E-09mmHg at 25°C
• Melting Point: 79.3-80.1 °C(lit.)
• Boiling Point: 464.9°C at 760 mmHg
• PKA: 9.28±0.50(Predicted)
• Flash Point: 235°C
• PSA: 49.77000
• Density: 1.201g/cm³
• LogP: 3.72980
• Storage Temp.: 2-8°C
• Solubility.: DMSO: 20 mg/mL
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 283.12084340
• Heavy Atom Count: 21
• Complexity: 350

Purity/Quality:

98%,99%, ^*data from raw suppliers

BW A4C ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N(CC=CC1=CC(=CC=C1)OC2=CC=CC=C2)O
• Isomeric SMILES: CC(=O)N(C/C=C/C1=CC(=CC=C1)OC2=CC=CC=C2)O

Technology Process of N-(3-phenoxycinnamyl)acetohydroxamic acid

There total 6 articles about N-(3-phenoxycinnamyl)acetohydroxamic 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:

3-Phenoxybenzaldehyde (39515-51-0) → N-(3-phenoxycinnamyl)acetohydroxamic acid (106328-57-8)

Guidance literature:

Multi-step reaction with 6 steps

1: 1.) pyridine, piperidine

2: 1.) DIBAL, 2.) 48percent HBr / 2.) Et₂O, hexane

3: dimethylformamide

4: HCl(conc.) / methanol

With piperidine; pyridine; hydrogenchloride; hydrogen bromide; diisobutylaluminium hydride; In methanol; N,N-dimethyl-formamide;

DOI:10.1021/jm00398a001

Reference yield:

E-3-(3-phenoxyphenyl)-1-bromoprop-2-ene (112270-87-8) → N-(3-phenoxycinnamyl)acetohydroxamic acid (106328-57-8)

Guidance literature:

Multi-step reaction with 4 steps

1: dimethylformamide

2: HCl(conc.) / methanol

With hydrogenchloride; In methanol; N,N-dimethyl-formamide;

DOI:10.1021/jm00398a001

Reference yield:

methyl 3-<(4-phenoxy)phenyl>propenoate (87087-33-0) → N-(3-phenoxycinnamyl)acetohydroxamic acid (106328-57-8)

Guidance literature:

Multi-step reaction with 5 steps

1: 1.) DIBAL, 2.) 48percent HBr / 2.) Et₂O, hexane

2: dimethylformamide

3: HCl(conc.) / methanol

With hydrogenchloride; hydrogen bromide; diisobutylaluminium hydride; In methanol; N,N-dimethyl-formamide;

DOI:10.1021/jm00398a001

upstream raw materials:

N-Acetoxy-N-[(E)-3-(3-phenoxy-phenyl)-allyl]-acetamide

3-Phenoxybenzaldehyde

E-3-(3-phenoxyphenyl)-1-bromoprop-2-ene

methyl 3-<(4-phenoxy)phenyl>propenoate

Refernces