Philanthotoxin

Base Information

Chemical Name:Philanthotoxin
CAS No.:115976-91-5
Deprecated CAS:77108-00-0
Molecular Formula:C23H41 N5 O3
Molecular Weight:435.61
Hs Code.:
DSSTox Substance ID:DTXSID80896963
Nikkaji Number:J261.804D
Wikipedia:Philanthotoxin
ChEMBL ID:CHEMBL1160514
Mol file:115976-91-5.mol

Synonyms:delta-philanthotoxin;delta-PTX;philanthotoxin 433;PHTX-433;PTX 433;PTX-4.3.3;PTX-433

Suppliers and Price of Philanthotoxin

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 0 raw suppliers

Chemical Property of Philanthotoxin

Chemical Property:

Vapor Pressure:3.07E-21mmHg at 25°C
Boiling Point:716.9°C at 760 mmHg
Flash Point:387.4°C
PSA：128.51000
Density:1.084g/cm³
LogP:3.29800
Storage Temp.:−20°C
Solubility.:H2O: ≥10 mg/mL
XLogP3:1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:18
Exact Mass:435.32094019
Heavy Atom Count:31
Complexity:470

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCCCNCCCNCCCN
Isomeric SMILES:CCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCCCCNCCCNCCCN

Technology Process of Philanthotoxin

There total 20 articles about Philanthotoxin 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: 80.0%

: (3-Benzyloxycarbonylamino-propyl)-(3-{4-[(S)-3-(4-benzyloxy-phenyl)-2-butyrylamino-propionylamino]-butylamino}-propyl)-carbamic acid benzyl ester

: 115976-91-5,123949-33-7
Philanthotoxin 433

Guidance literature:: With hydrogen; palladium on activated charcoal; In methanol; at 15 ℃; for 16h; under 760 Torr;
DOI:10.1016/0040-4039(95)01996-U

Reference yield: 49.0%

: 130203-42-8
O-Benzyl-PhTX-4'-N-Cbz-433

: 115976-91-5,123949-33-7
Philanthotoxin 433

Guidance literature:: With hydrogen; palladium on activated charcoal; In methanol; for 12h; under 760 Torr;
DOI:10.1016/S0040-4020(01)85463-6

Reference yield:

: 34805-17-9
methyl 2S-amino-3-(4-benzyloxyphenyl)propionate hydrochloride

: 115976-91-5,123949-33-7
Philanthotoxin 433

Guidance literature:: Multi-step reaction with 6 steps

1: 83 percent / triethylamine / CH₂Cl₂ / 2 h / 25 °C

2: 1.) 1 M NaOH, 2.) 3 M HCl / 1.) MeOH, 25 deg C, 4 h

3: 90 percent / DCC, 1-hydroxybenzotriazole / CH₂Cl₂ / 16 h / 25 °C

4: 91 percent / DMSO, oxalyl chloride / CH₂Cl₂ / -78 °C

5: 45 percent / NaCNBH₃, glacial AcOH / methanol / 25 °C / pH 6.0-7.5

6: 80 percent / hydrogen / 10 percent Pd/C / methanol / 16 h / 15 °C / 760 Torr

With hydrogenchloride; sodium hydroxide; oxalyl dichloride; hydrogen; sodium cyanoborohydride; benzotriazol-1-ol; acetic acid; dimethyl sulfoxide; triethylamine; dicyclohexyl-carbodiimide; palladium on activated charcoal; In methanol; dichloromethane;
DOI:10.1016/0040-4039(95)01996-U