3-(3,4-Dimethyl-2-pentenoyl)bruceolide

Base Information

Chemical Name:3-(3,4-Dimethyl-2-pentenoyl)bruceolide
CAS No.:76215-41-3
Molecular Formula:C₂₇H₃₄O₁₁
Molecular Weight:534.56
Hs Code.:

Synonyms:3-(3,4-Dimethyl-2-pentenoyl)bruceolide;76215-41-3;Picras-3-en-21-oic acid, 3-((3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-11,12,15-trihydroxy-2,16-dioxo-, methyl ester, (3(E),11beta,12alpha,15beta)-

Suppliers and Price of 3-(3,4-Dimethyl-2-pentenoyl)bruceolide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-(3,4-Dimethyl-2-pentenoyl)bruceolide

Chemical Property:

Vapor Pressure:1.99E-25mmHg at 25°C
Boiling Point:742.2°Cat760mmHg
Flash Point:243.5°C
Density:1.41g/cm³
XLogP3:1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:548.22576196
Heavy Atom Count:39
Complexity:1200

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)O)(OC5)C(=O)OC)O)O)C)OC(=O)C=C(C)C(C)C
Isomeric SMILES:CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45C2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)O)(OC5)C(=O)OC)O)O)C)OC(=O)/C=C(\C)/C(C)C

Technology Process of 3-(3,4-Dimethyl-2-pentenoyl)bruceolide

There total 6 articles about 3-(3,4-Dimethyl-2-pentenoyl)bruceolide 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: 47.0%

: bruceolide

: 76215-43-5
(E)-3,4-dimethylpent-4-enoyl chloride

: 76215-41-3
3-(3,4-dimethyl-2-pentenoyl)bruceolide

: 76215-40-2
3,15-bis(3,4-dimethyl-2-pentenoyl)bruceolide

Guidance literature:: With pyridine; In chloroform; at 56 ℃; for 24h;
DOI:10.1021/jo00319a019

Reference yield:

: 63306-30-9
bruceoside-A

: 76215-41-3
3-(3,4-dimethyl-2-pentenoyl)bruceolide

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) KOH, 2.) p-toluenesulfonic acid / 1.) MeOH, 0 deg C, 2.) MeOH, 19 h

2: 31 percent / pyridine / CHCl₃ / 24 h / 56 °C

With pyridine; potassium hydroxide; toluene-4-sulfonic acid; In chloroform;
DOI:10.1021/jo00319a019

Reference yield:

: 563-80-4
3-methyl-butan-2-one

: 76215-41-3
3-(3,4-dimethyl-2-pentenoyl)bruceolide

Guidance literature:: Multi-step reaction with 4 steps

1: 1.)sodium hydride / 1.)diglyme, 0 deg C_., 30 min, 2.) 3 h.

2: 91 percent / 0.5 N KOH / H₂O / 17 h / 80 °C

3: thionyl chloride / benzene / Heating

4: 31 percent / pyridine / CHCl₃ / 24 h / 56 °C

With pyridine; potassium hydroxide; thionyl chloride; sodium hydride; In chloroform; water; benzene;
DOI:10.1021/jo00319a019