echinocandin D

Base Information

Chemical Name:echinocandin D
CAS No.:71018-13-8
Molecular Formula:C52H81N7O13
Molecular Weight:1012.25
Hs Code.:

Synonyms:echinocandin D

Suppliers and Price of echinocandin 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
Packaging
price

Total 3 raw suppliers

Chemical Property of echinocandin D

Chemical Property:

PSA：307.50000
LogP:2.47140
XLogP3:5.1
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:20
Exact Mass:1011.58923566
Heavy Atom Count:72
Complexity:1830

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC=CCC=CCCCCCCCC(=O)NC1CCCNC(=O)C2C(C(CN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(CC4=CC=C(C=C4)O)O)C(C)O)C)O
Isomeric SMILES:CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@H]1CCCNC(=O)[C@@H]2[C@H]([C@H](CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H](CC4=CC=C(C=C4)O)O)[C@@H](C)O)C)O

Technology Process of echinocandin D

There total 39 articles about echinocandin 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: 50.0%

: C₅₂H₈₃N₇O₁₄

: 71018-13-8
echinocandin D

Guidance literature:: With diphenylphosphoranyl azide;
DOI:10.1021/ja00279a065

Reference yield:

: 104213-53-8
N-(benzyloxycarbonyl)-O-(tert-butyldimethylsilyl)-L-threonyl-4(R)-hydroxy-L-prolyl-3(R)-hydroxy-L-homotyrosinyl-L-threonyl-3(S)-hydroxy-4(S)-methyl-L-proline methyl ester

: 71018-13-8
echinocandin D

Guidance literature:: Multi-step reaction with 4 steps

1: 100 percent / H₂ / 10percent Pd-C / methanol / 32 h / 760 Torr / Ambient temperature

2: 68 percent / diethylphosphoryl cyanide, NEt₃ / dimethylformamide / 38 h / 0 °C

3: 1) 0.5 N NaOH, 2) CF₃COOH / 1a) THF, 0 deg C, 19 h, 1b) RT, 8 h, 2) CH₂Cl₂, RT, 15 min

4: diphenylphosporyl azide, NEt₃ / dimethylformamide / 15 h / 0 °C

With sodium hydroxide; diethylphosphoryl cyanide; diphenyl phosphoryl azide; hydrogen; triethylamine; trifluoroacetic acid; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide;
DOI:10.1016/S0040-4020(01)87959-X

Reference yield:

: 104241-26-1
1-(tert-butyl) 2-methyl (2S,3S,4S)-3-hydroxy-4-methylpyrrolidine-1,2-dicarboxylate

: 71018-13-8
echinocandin D

Guidance literature:: Multi-step reaction with 8 steps

1: CF₃COOH / CH₂Cl₂ / 0.5 h / Ambient temperature

2: diethylphosphoryl cyanide, NEt₃ / dimethylformamide / 15 h / 0 °C

4: 72 percent / diethylphosphoryl cyanide, NEt₃ / dimethylformamide / 1) 0 deg C, 1 h, 2) RT, 2 h

5: 100 percent / H₂ / 10percent Pd-C / methanol / 32 h / 760 Torr / Ambient temperature

6: 68 percent / diethylphosphoryl cyanide, NEt₃ / dimethylformamide / 38 h / 0 °C

7: 1) 0.5 N NaOH, 2) CF₃COOH / 1a) THF, 0 deg C, 19 h, 1b) RT, 8 h, 2) CH₂Cl₂, RT, 15 min

8: diphenylphosporyl azide, NEt₃ / dimethylformamide / 15 h / 0 °C

With sodium hydroxide; diethylphosphoryl cyanide; diphenyl phosphoryl azide; hydrogen; triethylamine; trifluoroacetic acid; palladium on activated charcoal; In methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/S0040-4020(01)87959-X