Zaragozic acid D

Base Information

Chemical Name:Zaragozic acid D
CAS No.:155179-14-9
Molecular Formula:C₃₄H₄₆O₁₄
Molecular Weight:678.731
Hs Code.:
UNII:N34668EC9D
Nikkaji Number:J1.837.729B
Wikidata:Q27284478
ChEMBL ID:CHEMBL502872
Mol file:155179-14-9.mol

Synonyms:zaragozic acid D

Suppliers and Price of Zaragozic acid D

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
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price

Total 1 raw suppliers

Chemical Property of Zaragozic acid D

Chemical Property:

Boiling Point:821.7±65.0 °C(Predicted)
PKA:1.50±0.70(Predicted)
PSA：223.42000
Density:1.35±0.1 g/cm3(Predicted)
LogP:3.31020
XLogP3:4.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:21
Exact Mass:678.28875614
Heavy Atom Count:48
Complexity:1180

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCCCCC(=O)OC1C(C2(OC(C(C1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCCC(C(C)CC=CC3=CC=CC=C3)OC(=O)C)O
Isomeric SMILES:CCCCCCCC(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCCC(C(C)C/C=C/C3=CC=CC=C3)OC(=O)C)O

Technology Process of Zaragozic acid D

There total 15 articles about Zaragozic acid D 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: 100.0%

: C₅₁H₇₈O₁₆

: 155179-14-9
zaragozic acid D

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 20 ℃; Reflux;
DOI:10.1002/chem.201003399

Reference yield:

: C₃₆H₄₂O₁₄

: 155179-14-9
zaragozic acid D

Guidance literature:: Multi-step reaction with 11 steps

1.1: n-butyllithium / tetrahydrofuran; hexane / 2.5 h / -13 - 0 °C

1.2: -78 °C

1.3: -78 - -10 °C

2.1: dmap / dichloromethane / 16.5 h / 0 - 20 °C

3.1: 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride / benzene / 3 h / Reflux

4.1: tetrabutyl ammonium fluoride; acetic acid / tetrahydrofuran / 5 h / 0 - 20 °C

5.1: methanol; potassium carbonate / 2.5 h / 16 °C

6.1: 4-pyrrolidin-1-ylpyridine; triethylamine / dichloromethane / 17.5 h / -3 °C

7.1: dmap / dichloromethane / 3 h / 0 - 20 °C

8.1: diethylzinc / toluene / 0 °C

8.2: 0.5 h / 0 °C

8.3: 19.5 h / 0 - 20 °C

9.1: Ru(OCOCH₃)2{(S)-2,2'-bis(diphenylphosphino)-1,1'-dinaphthyl)}; hydrogen / methanol / 10 h / 20 °C / 41254.1 Torr

10.1: dmap / dichloromethane / 3.5 h / 0 °C

11.1: trifluoroacetic acid / dichloromethane / 20 °C / Reflux

With methanol; dmap; n-butyllithium; Ru(OCOCH₃)2{(S)-2,2'-bis(diphenylphosphino)-1,1'-dinaphthyl)}; 2,2'-azobis(isobutyronitrile); tetrabutyl ammonium fluoride; hydrogen; diethylzinc; tri-n-butyl-tin hydride; potassium carbonate; 4-pyrrolidin-1-ylpyridine; acetic acid; triethylamine; trifluoroacetic acid; In tetrahydrofuran; methanol; hexane; dichloromethane; toluene; benzene;
DOI:10.1002/chem.201003399

Reference yield:

: 1286209-85-5
C₄₄H₅₈O₁₃Si

: 155179-14-9
zaragozic acid D

Guidance literature:: Multi-step reaction with 8 steps

1.1: tetrabutyl ammonium fluoride; acetic acid / tetrahydrofuran / 5 h / 0 - 20 °C

2.1: methanol; potassium carbonate / 2.5 h / 16 °C

3.1: 4-pyrrolidin-1-ylpyridine; triethylamine / dichloromethane / 17.5 h / -3 °C

4.1: dmap / dichloromethane / 3 h / 0 - 20 °C

5.1: diethylzinc / toluene / 0 °C

5.2: 0.5 h / 0 °C

5.3: 19.5 h / 0 - 20 °C

6.1: Ru(OCOCH₃)2{(S)-2,2'-bis(diphenylphosphino)-1,1'-dinaphthyl)}; hydrogen / methanol / 10 h / 20 °C / 41254.1 Torr

7.1: dmap / dichloromethane / 3.5 h / 0 °C

8.1: trifluoroacetic acid / dichloromethane / 20 °C / Reflux

With methanol; dmap; Ru(OCOCH₃)2{(S)-2,2'-bis(diphenylphosphino)-1,1'-dinaphthyl)}; tetrabutyl ammonium fluoride; hydrogen; diethylzinc; potassium carbonate; 4-pyrrolidin-1-ylpyridine; acetic acid; triethylamine; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane; toluene;
DOI:10.1002/chem.201003399