Nepetoidin B

Base Information

• Chemical Name: Nepetoidin B
• CAS No.: 55486-06-1
• Molecular Formula: C17H14O6
• Molecular Weight: 314.28900
• Mol file: 55486-06-1.mol

Synonyms:(Z,E) isomer of the enol ester of dopaldehyde with caffeic acid;(Z)-[2-(3,4-dihydroxyphenyl)ethenyl] (E)-3-(3,4-dihydroxyphenyl)-2-propenoate;netpetoidin B;(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid (Z)-2-(3,4-dihydroxy-phenyl)-vinyl ester;(Z,E)-2-(3,4-dihydroxyphenyl)ethenyl ester of 3-(3,4- dihydroxyphenyl)-2-propenoic acid;

Chemical Property of Nepetoidin B

Chemical Property:

• Melting Point: 184 - 185 °C
• Boiling Point: 587.4±50.0 °C(Predicted)
• PKA: 9.15±0.10(Predicted)
• PSA: 107.22000
• Density: 1.475±0.06 g/cm3(Predicted)
• LogP: 2.73630

Purity/Quality:

99% ^*data from raw suppliers

Nepetoidin B ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

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Technology Process of Nepetoidin B

There total 3 articles about Nepetoidin B 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:

C21H22O6 → (Z,E)-2-(3,4-dihydroxyphenyl)ethenyl ester of 3-(3,4-dihydroxyphenyl)-2-propenoic acid (55486-06-1) + 2-(3,4-dihydroxyphenyl)ethenyl-3-(3,4-dihydroxyphenyl)-2-propenoate (99816-39-4)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃; for 2.5h; Overall yield = 43 %; Overall yield = 490 mg; Inert atmosphere;

DOI:10.1055/s-0036-1591556

Reference yield:

3-(3,4-dihydroxyphenyl)-2-propenoic acid (Z,E)-2-(3,4-dihydroxyphenyl)ethenyl ester → (Z,E)-2-(3,4-dihydroxyphenyl)ethenyl ester of 3-(3,4-dihydroxyphenyl)-2-propenoic acid (55486-06-1) + 2-(3,4-dihydroxyphenyl)ethenyl-3-(3,4-dihydroxyphenyl)-2-propenoate (99816-39-4)

Guidance literature:

With quinoline; trimethylsilyl iodide; at 0 - 175 ℃; for 4h; Overall yield = 61 percent; Overall yield = 77 mg; Inert atmosphere;

DOI:10.24820/ARK.5550190.P011.120dummy2

Reference yield:

3,4-dimethoxy-benzaldehyde (120-14-9) → (Z,E)-2-(3,4-dihydroxyphenyl)ethenyl ester of 3-(3,4-dihydroxyphenyl)-2-propenoic acid (55486-06-1) + 2-(3,4-dihydroxyphenyl)ethenyl-3-(3,4-dihydroxyphenyl)-2-propenoate (99816-39-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: carbon tetrabromide; triisopropyl phosphate / 0.58 h / 0 °C

1.2: 0.83 h / 0 - 25 °C

2.1: bis(2-methylpropenyl) / toluene / 12 h / 45 °C / Inert atmosphere

3.1: quinoline; trimethylsilyl iodide / 4 h / 0 - 175 °C / Inert atmosphere

With quinoline; triisopropyl phosphate; trimethylsilyl iodide; carbon tetrabromide; bis(2-methylpropenyl); In toluene;

DOI:10.24820/ARK.5550190.P011.120dummy2

upstream raw materials:

3,4-dimethoxy-benzaldehyde

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