Chaetomellic acid A

Base Information

Chemical Name:Chaetomellic acid A
CAS No.:148796-51-4
Molecular Formula:C₁₉H₃₄O₄
Molecular Weight:326.477
Hs Code.:
Wikidata:Q77495400
Metabolomics Workbench ID:108952
ChEMBL ID:CHEMBL103955

Synonyms:chaetomellic acid A

Suppliers and Price of Chaetomellic acid A

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of Chaetomellic acid A

Chemical Property:

Vapor Pressure:1.55E-10mmHg at 25°C
Boiling Point:480°Cat760mmHg
Flash Point:258.2°C
PSA：74.60000
Density:1.005g/cm³
LogP:5.56330
XLogP3:7.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:15
Exact Mass:326.24570956
Heavy Atom Count:23
Complexity:372

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCCCCCC(=C(C)C(=O)O)C(=O)O
Isomeric SMILES:CCCCCCCCCCCCCC/C(=C(\C)/C(=O)O)/C(=O)O

Technology Process of Chaetomellic acid A

There total 9 articles about Chaetomellic acid A 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:

: 112-39-0
hexadecanoic acid methyl ester

: 148796-51-4
trans-Chaetomellic acid A

Guidance literature:: Multi-step reaction with 4 steps

1.1: LDA / tetrahydrofuran / 0.83 h / -78 - 0 °C

1.2: tetrahydrofuran / 2 h / -78 °C

2.1: 2,6-di-tert-butyl-4-methylpyridine / CH₂Cl₂; pyridine / 50 °C

3.1: DBU / toluene / 0.33 h / Heating

4.1: 8 percent Chromat_. / NaOH / tetrahydrofuran; methanol; H₂O / Heating

With sodium hydroxide; 2,6-di-tert-butyl-4-methylpyridine; 1,8-diazabicyclo[5.4.0]undec-7-ene; lithium diisopropyl amide; In tetrahydrofuran; pyridine; methanol; dichloromethane; water; toluene; 1.1: Metallation / 1.2: aldol condensation / 2.1: Tosylation / 3.1: Elimination / 4.1: Hydrolysis;
DOI:10.1016/S0968-0896(99)00312-0

Reference yield:

: (2S,3S)-2-Hydroxy-2-methyl-3-tetradecyl-succinic acid dimethyl ester

: 148796-51-4
trans-Chaetomellic acid A

Guidance literature:: Multi-step reaction with 3 steps

1: 2,6-di-tert-butyl-4-methylpyridine / CH₂Cl₂; pyridine / 50 °C

2: DBU / toluene / 0.33 h / Heating

3: 8 percent Chromat_. / NaOH / tetrahydrofuran; methanol; H₂O / Heating

With sodium hydroxide; 2,6-di-tert-butyl-4-methylpyridine; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; pyridine; methanol; dichloromethane; water; toluene; 1: Tosylation / 2: Elimination / 3: Hydrolysis;
DOI:10.1016/S0968-0896(99)00312-0

Reference yield:

: (2S,3R)-2-Hydroxy-2-methyl-3-tetradecyl-succinic acid dimethyl ester

: 148796-51-4
trans-Chaetomellic acid A

Guidance literature:: Multi-step reaction with 3 steps

1: 2,6-di-tert-butyl-4-methylpyridine / CH₂Cl₂; pyridine / 50 °C

2: 40 percent Chromat_. / DBU / toluene / 3 h / 130 - 140 °C

3: 8 percent Chromat_. / NaOH / tetrahydrofuran; methanol; H₂O / Heating

With sodium hydroxide; 2,6-di-tert-butyl-4-methylpyridine; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; pyridine; methanol; dichloromethane; water; toluene; 1: Tosylation / 2: Elimination / 3: Hydrolysis;
DOI:10.1016/S0968-0896(99)00312-0