Asperlicin

Base Information

Chemical Name:Asperlicin
CAS No.:93413-04-8
Molecular Formula:C31H29 N5 O4
Molecular Weight:535.59
Hs Code.:
UNII:U0MJE9LRXV
DSSTox Substance ID:DTXSID20918456
Nikkaji Number:J41.423I
Wikipedia:Asperlicin
Wikidata:Q4807912
ChEMBL ID:CHEMBL283117
Mol file:93413-04-8.mol

Synonyms:(S-(2alpha,9beta,9(R*),9alpha,beta))-6,7-dihydro-7-((2,3,9,9a-tetrahydro-9-hydroxy-2-(2-methylpropyl)-3-oxo-1H-imidazo(1,2-a)indol-9-yl)methyl)quinazolino(3,2-a)(1,4)benzodiazepine-5,13-dione;asperlicin

Suppliers and Price of Asperlicin

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

American Custom Chemicals Corporation
ASPERLICIN 95.00%
5MG
$ 499.70

Total 5 raw suppliers

Chemical Property of Asperlicin

Chemical Property:

Melting Point:211-213°
Boiling Point:°Cat760mmHg
PKA:11.65±0.40(Predicted)
Flash Point:°C
PSA：120.05000
Density:1.48g/cm³
LogP:3.54290
XLogP3:3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:535.22195442
Heavy Atom Count:40
Complexity:1090

Purity/Quality:

95% ^*data from raw suppliers

ASPERLICIN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CC1C(=O)N2C(N1)C(C3=CC=CC=C32)(CC4C5=NC6=CC=CC=C6C(=O)N5C7=CC=CC=C7C(=O)N4)O
Isomeric SMILES:CC(C)C[C@H]1C(=O)N2[C@H](N1)[C@@](C3=CC=CC=C32)(C[C@H]4C5=NC6=CC=CC=C6C(=O)N5C7=CC=CC=C7C(=O)N4)O

Technology Process of Asperlicin

There total 17 articles about Asperlicin 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: 87.0%

: 102743-51-1
phenylmethyl 2,3,9,9a-tetrahydro-9-hydroxy-2-(2-methylpropyl)-3-oxo-9-[(5,6,7,13-tetrahydro-5,13-dioxoquinazolino[3,2-a][1,4]benzodiazepin-7-yl)methyl]-1H-imidazo[1,2-a]indole-1-carboxylic acid ester

: 93413-04-8
Asperlicin

Guidance literature:: With hydrogen; palladium on activated charcoal; In methanol; for 0.25h; under 760 Torr;
DOI:10.1021/ja9809408

Reference yield:

: 2018-66-8
Z-Leu-OH

: 93413-04-8
Asperlicin

Guidance literature:: Multi-step reaction with 12 steps

1: DCC

2: DDQ / toluene / Heating

3: 1.) Hg(OTFA)2, 2.) KI, 3.) I₂

4: Pd₂(dba)3, P(o-tolyl)3, K₂CO₃ / toluene / Heating

5: Zn, AcOH

6: DCC

7: 93 percent / Zn, AcOH / ethyl acetate

8: 82 percent / Et₃N, DMAP

9: 91 percent / Bu₃P / benzene / 60 °C

10: 3-n-butyl-1,2-benzisothiazole-1,1-dioxide oxide / 48 h

11: NaBH₄, AcOH

12: 87 percent / H₂ / Pd/C / methanol / 0.25 h / 760 Torr

With dmap; sodium tetrahydroborate; 3-butyl-1,2-benzisothiazole-1,1-dioxide; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; tributylphosphine; hydrogen; iodine; mercury(II) trifluoroacetate; potassium carbonate; acetic acid; triethylamine; dicyclohexyl-carbodiimide; tris-(o-tolyl)phosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; potassium iodide; zinc; palladium on activated charcoal; In methanol; ethyl acetate; toluene; benzene;
DOI:10.1021/ja9809408

Reference yield:

: 34897-85-3
o-azidobenzoyl chloride

: 93413-04-8
Asperlicin

Guidance literature:: Multi-step reaction with 5 steps

1: 82 percent / Et₃N, DMAP

2: 91 percent / Bu₃P / benzene / 60 °C

3: 3-n-butyl-1,2-benzisothiazole-1,1-dioxide oxide / 48 h

4: NaBH₄, AcOH

5: 87 percent / H₂ / Pd/C / methanol / 0.25 h / 760 Torr

With dmap; sodium tetrahydroborate; 3-butyl-1,2-benzisothiazole-1,1-dioxide; tributylphosphine; hydrogen; acetic acid; triethylamine; palladium on activated charcoal; In methanol; benzene;
DOI:10.1021/ja9809408