Aurachin D

Base Information

Chemical Name:Aurachin D
CAS No.:108354-13-8
Molecular Formula:C₂₅H₃₃NO
Molecular Weight:363.543
Hs Code.:
DSSTox Substance ID:DTXSID701318443
Nikkaji Number:J81.896H
Wikidata:Q27105882
Metabolomics Workbench ID:99555
ChEMBL ID:CHEMBL573376
Mol file:108354-13-8.mol

Synonyms:aurachin D;aurachin-D

Suppliers and Price of Aurachin 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 25 raw suppliers

Chemical Property of Aurachin D

Chemical Property:

Vapor Pressure:7.79E-10mmHg at 25°C
Boiling Point:492.3°C at 760 mmHg
Flash Point:130.2°C
PSA：32.86000
Density:0.981g/cm³
LogP:6.79820
XLogP3:7.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:363.256214676
Heavy Atom Count:27
Complexity:643

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=O)C2=CC=CC=C2N1)CC=C(C)CCC=C(C)CCC=C(C)C
Isomeric SMILES:CC1=C(C(=O)C2=CC=CC=C2N1)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C

Technology Process of Aurachin D

There total 4 articles about Aurachin 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: 72.0%

: 51921-98-3
(4E,8E)-ethyl 2-acetyl-5,9,13-trimethyltetradeca-4,8,12-trienoate

: 62-53-3
aniline

: 108354-13-8,123631-75-4
aurachin D-42

Guidance literature:: (4E,8E)-ethyl 2-acetyl-5,9,13-trimethyltetradeca-4,8,12-trienoate; aniline; In toluene; for 16h; Inert atmosphere; Reflux; Molecular sieve;

In toluene; at 250 ℃; for 3h; Sealed tube;
DOI:10.3762/bjoc.9.176

Reference yield: 37.0%

: 506-68-3
bromocyane

: 108354-14-9
aurachin C

: 24163-93-7,24163-94-8,28290-41-7,56881-57-3,6874-67-5
farnesyl bromide

: 1075198-66-1
3-bromocarbonylamino-2-methyl-1H-quinoline-4-one

: 108354-13-8,123631-75-4
aurachin D-42

: 113366-10-2
aurachin E

Guidance literature:: In dichloromethane; for 0.5h;
DOI:10.1021/np8004612

Reference yield:

: 24163-93-7,24163-94-8,56881-57-3,6874-67-5,28290-41-7
farnesyl bromide

: 108354-13-8,123631-75-4
aurachin D-42

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydride / tetrahydrofuran / 0 °C / Inert atmosphere

1.2: 16 h / 0 - 20 °C

2.1: toluene / 16 h / Inert atmosphere; Reflux; Molecular sieve

2.2: 3 h / 250 °C / Sealed tube

With sodium hydride; In tetrahydrofuran; toluene;
DOI:10.3762/bjoc.9.176