2-[[(3S,7R,9S)-7-acetyloxy-3-hydroxy-3-methyl-9-[(E)-pentacos-7-en-3-ynoyl]oxydecanoyl]amino]ethanesulfonic acid

Base Information

Chemical Name:2-[[(3S,7R,9S)-7-acetyloxy-3-hydroxy-3-methyl-9-[(E)-pentacos-7-en-3-ynoyl]oxydecanoyl]amino]ethanesulfonic acid
CAS No.:185138-92-5
Molecular Formula:C40H71NO9S
Molecular Weight:742.058
Hs Code.:

Synonyms:(+)-Taurospongin;185138-92-5;2-[[(3S,7R,9S)-7-acetyloxy-3-hydroxy-3-methyl-9-[(E)-pentacos-7-en-3-ynoyl]oxydecanoyl]amino]ethanesulfonic acid;8-Pentacosen-4-ynoic acid, (1R,3S,7R)-3-(acetyloxy)-7-hydroxy-1,7-dimethyl-9-oxo-9-((2-sulfoethyl)amino)nonyl ester, (8Z)

Suppliers and Price of 2-[[(3S,7R,9S)-7-acetyloxy-3-hydroxy-3-methyl-9-[(E)-pentacos-7-en-3-ynoyl]oxydecanoyl]amino]ethanesulfonic acid

Supply Marketing:

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

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Chemical Property of 2-[[(3S,7R,9S)-7-acetyloxy-3-hydroxy-3-methyl-9-[(E)-pentacos-7-en-3-ynoyl]oxydecanoyl]amino]ethanesulfonic acid

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：164.68000
Density:1.066g/cm³
LogP:10.01840
XLogP3:10.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:34
Exact Mass:741.48495402
Heavy Atom Count:51
Complexity:1140

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCCCCCCCCC=CCCC#CCC(=O)OC(C)CC(CCCC(C)(CC(=O)NCCS(=O)(=O)O)O)OC(=O)C
Isomeric SMILES:CCCCCCCCCCCCCCCCC/C=C/CCC#CCC(=O)O[C@@H](C)C[C@@H](CCC[C@@](C)(CC(=O)NCCS(=O)(=O)O)O)OC(=O)C

Technology Process of 2-[[(3S,7R,9S)-7-acetyloxy-3-hydroxy-3-methyl-9-[(E)-pentacos-7-en-3-ynoyl]oxydecanoyl]amino]ethanesulfonic acid

There total 44 articles about 2-[[(3S,7R,9S)-7-acetyloxy-3-hydroxy-3-methyl-9-[(E)-pentacos-7-en-3-ynoyl]oxydecanoyl]amino]ethanesulfonic 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:

: 219754-88-8
(3R,7S,9R)-7-Acetoxy-3,9-dihydroxy-3-methyl-decanoic acid allyl ester

: 185138-92-5
taurospongin A

Guidance literature:: Multi-step reaction with 4 steps

1: 18.8 mg / i-Pr₂NEt; diisopropyl carbodiimide; DMAP / CH₂Cl₂ / 46 h / 20 °C

2: pyrrolidine / Pd(PPh₃)4 / CH₂Cl₂ / 0.67 h / 20 °C

3: dicyclohexylcarbodimide / dioxane / 2 h / 20 °C

4: 23.3 mg / Et₃N; H₂O / dioxane / 24 h / 20 °C

With pyrrolidine; dmap; water; triethylamine; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; diisopropyl-carbodiimide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; dichloromethane;
DOI:10.1039/b301676p

Reference yield:

: 219754-75-3
(3R,7S,9R)-7-acetoxy-9-(tert-butyldimethylsilyloxy)-3-methyldecane-1,3-diol

: 185138-92-5
taurospongin A

Guidance literature:: Multi-step reaction with 7 steps

1: TEMPO; KBr; aq. NaClO₂ / Aliquat(R) 336 / CH₂Cl₂ / 0.5 h / 0 °C

2: 87 percent / i-Pr₂NEt / CH₂Cl₂ / 46 h / 20 °C

3: HF*pyridine; pyridine / tetrahydrofuran / 6 h / 20 °C

4: 18.8 mg / i-Pr₂NEt; diisopropyl carbodiimide; DMAP / CH₂Cl₂ / 46 h / 20 °C

5: pyrrolidine / Pd(PPh₃)4 / CH₂Cl₂ / 0.67 h / 20 °C

6: dicyclohexylcarbodimide / dioxane / 2 h / 20 °C

7: 23.3 mg / Et₃N; H₂O / dioxane / 24 h / 20 °C

With pyrrolidine; pyridine; dmap; 2,2,6,6-tetramethyl-piperidine-N-oxyl; sodium chlorite; water; pyridine hydrogenfluoride; triethylamine; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; potassium bromide; diisopropyl-carbodiimide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; Aliquat 336; In tetrahydrofuran; 1,4-dioxane; dichloromethane;
DOI:10.1039/b301676p

Reference yield:

: 219754-70-8
(3R,7S,9R)-7-acetoxy-9-(tert-butyldimethylsilyloxy)-3-hydroxy-3-methyldecanoic acid

: 185138-92-5
taurospongin A

Guidance literature:: Multi-step reaction with 6 steps

1: 87 percent / i-Pr₂NEt / CH₂Cl₂ / 46 h / 20 °C

2: HF*pyridine; pyridine / tetrahydrofuran / 6 h / 20 °C

3: 18.8 mg / i-Pr₂NEt; diisopropyl carbodiimide; DMAP / CH₂Cl₂ / 46 h / 20 °C

4: pyrrolidine / Pd(PPh₃)4 / CH₂Cl₂ / 0.67 h / 20 °C

5: dicyclohexylcarbodimide / dioxane / 2 h / 20 °C

6: 23.3 mg / Et₃N; H₂O / dioxane / 24 h / 20 °C

With pyrrolidine; pyridine; dmap; water; pyridine hydrogenfluoride; triethylamine; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; diisopropyl-carbodiimide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; 1,4-dioxane; dichloromethane;
DOI:10.1039/b301676p