1H-Cycloundec(d)isoindole-1,15(2H)-dione, 3,3a,4,6a,9,10,11,12-octahydro-11,12-dihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,11S,12S,13E,15aS)-

Base Information

Chemical Name:1H-Cycloundec(d)isoindole-1,15(2H)-dione, 3,3a,4,6a,9,10,11,12-octahydro-11,12-dihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,11S,12S,13E,15aS)-
CAS No.:72401-79-7
Molecular Formula:C₂₄H₃₅NO₄
Molecular Weight:401.546
Hs Code.:
Nikkaji Number:J157.896K

1H-Cycloundec(d)isoindole-1,15(2H)-dione, 3,3a,4,6a,9,10,11,12-octahydro-11,12-dihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,11S,12S,13E,15aS)-

Synonyms:aspochalasin D

Suppliers and Price of 1H-Cycloundec(d)isoindole-1,15(2H)-dione, 3,3a,4,6a,9,10,11,12-octahydro-11,12-dihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,11S,12S,13E,15aS)-

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 4 raw suppliers

Chemical Property of 1H-Cycloundec(d)isoindole-1,15(2H)-dione, 3,3a,4,6a,9,10,11,12-octahydro-11,12-dihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,11S,12S,13E,15aS)-

Chemical Property:

Vapor Pressure:2.68E-17mmHg at 25°C
Melting Point:126-128 °C
Boiling Point:607.6°Cat760mmHg
PKA:13.10±0.70(Predicted)
Flash Point:321.2°C
PSA：90.12000
Density:1.15g/cm³
LogP:3.20880
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:401.25660860
Heavy Atom Count:29
Complexity:765

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C2C(NC(=O)C23C(C=C(CCC(C(C=CC3=O)O)O)C)C=C1C)CC(C)C
Isomeric SMILES:C[C@H]1[C@H]2[C@@H](NC(=O)[C@@]23[C@@H](/C=C(\CC[C@@H]([C@H](/C=C\C3=O)O)O)/C)C=C1C)CC(C)C

Technology Process of 1H-Cycloundec(d)isoindole-1,15(2H)-dione, 3,3a,4,6a,9,10,11,12-octahydro-11,12-dihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,11S,12S,13E,15aS)-

There total 22 articles about 1H-Cycloundec(d)isoindole-1,15(2H)-dione, 3,3a,4,6a,9,10,11,12-octahydro-11,12-dihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,11S,12S,13E,15aS)- 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: 90.0%

: 124575-53-7
(17S,18S)-17,18-isopropylidenedioxy-14-methyl-10-prop-2'-yl-<11>cytochalasa-6(7),13Z,19E-triene-1,21-dione

: 71968-02-0,72401-79-7
isoaspochalasin C

Guidance literature:: With hydrogenchloride; In methanol; water; for 1h; Ambient temperature;
DOI:10.1016/S0040-4020(01)83439-6

Reference yield:

: 140836-86-8,124575-39-9
ethyl 3-((4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl)propanoate

: 71968-02-0,72401-79-7
isoaspochalasin C

Guidance literature:: Multi-step reaction with 14 steps

1: DMSO, oxalyl chloride, Et₃N / CH₂Cl₂ / 0.75 h / -78 °C

2: 72 percent / benzene / 16 h / Heating

3: 88 percent / H₂ / Pd/C / ethyl acetate

5: 97 percent / NaOH / ethanol; H₂O / 1.5 h / Ambient temperature

6: 92 percent / benzene; tetrahydrofuran / 18 h / Ambient temperature

7: lithium hexamethyldisilazide / tetrahydrofuran; hexane / 8.5 h / -78 °C

8: 80 percent / lithium hexamethyldisilazide / tetrahydrofuran; hexane / 4 h / -78 °C

9: H₂O₂, m-chloroperoxybenzoic acid / CHCl₃; H₂O / 0.75 h / -50 - 0 °C

10: toluene / 5 h / 90 °C

11: NaOH / methanol / 2 h / Ambient temperature

12: 1.) trimethylsilyl chlorid, lithium isopropylamide / 1.) THF/hexane, -78 degC, 3 h 2.) THF, 0 degC, 3 h

13: 58 percent / H₂O₂ / pyridine; CH₂Cl₂; H₂O / 18 h / Ambient temperature

14: 90 percent / HCl / methanol; H₂O / 1 h / Ambient temperature

With hydrogenchloride; sodium hydroxide; chloro-trimethyl-silane; oxalyl dichloride; hydrogen; dihydrogen peroxide; lithium isopropylamide; dimethyl sulfoxide; triethylamine; 3-chloro-benzenecarboperoxoic acid; lithium hexamethyldisilazane; palladium on activated charcoal; In tetrahydrofuran; pyridine; methanol; ethanol; hexane; dichloromethane; chloroform; water; ethyl acetate; toluene; benzene;
DOI:10.1016/S0040-4020(01)83439-6

Reference yield:

: 124575-40-2
ethyl 3-((4S,5R)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl)propanoate

: 71968-02-0,72401-79-7
isoaspochalasin C

Guidance literature:: Multi-step reaction with 13 steps

1: 72 percent / benzene / 16 h / Heating

2: 88 percent / H₂ / Pd/C / ethyl acetate

4: 97 percent / NaOH / ethanol; H₂O / 1.5 h / Ambient temperature

5: 92 percent / benzene; tetrahydrofuran / 18 h / Ambient temperature

6: lithium hexamethyldisilazide / tetrahydrofuran; hexane / 8.5 h / -78 °C

7: 80 percent / lithium hexamethyldisilazide / tetrahydrofuran; hexane / 4 h / -78 °C

8: H₂O₂, m-chloroperoxybenzoic acid / CHCl₃; H₂O / 0.75 h / -50 - 0 °C

9: toluene / 5 h / 90 °C

10: NaOH / methanol / 2 h / Ambient temperature

11: 1.) trimethylsilyl chlorid, lithium isopropylamide / 1.) THF/hexane, -78 degC, 3 h 2.) THF, 0 degC, 3 h

12: 58 percent / H₂O₂ / pyridine; CH₂Cl₂; H₂O / 18 h / Ambient temperature

13: 90 percent / HCl / methanol; H₂O / 1 h / Ambient temperature

With hydrogenchloride; sodium hydroxide; chloro-trimethyl-silane; hydrogen; dihydrogen peroxide; lithium isopropylamide; 3-chloro-benzenecarboperoxoic acid; lithium hexamethyldisilazane; palladium on activated charcoal; In tetrahydrofuran; pyridine; methanol; ethanol; hexane; dichloromethane; chloroform; water; ethyl acetate; toluene; benzene;
DOI:10.1016/S0040-4020(01)83439-6