Rubrolide N

Base Information

Chemical Name:Rubrolide N
CAS No.:287965-29-1
Molecular Formula:C₁₇H₉Br₂ClO₄
Molecular Weight:472.517
Hs Code.:
NSC Number:720857
DSSTox Substance ID:DTXSID80420227
Nikkaji Number:J1.324.828A
Wikidata:Q82231446
Metabolomics Workbench ID:143798
ChEMBL ID:CHEMBL2001231
Mol file:287965-29-1.mol

Synonyms:Rubrolide N;287965-29-1;NSC720857;CHEMBL2001231;DTXSID80420227;NSC-720857;(5Z)-3-bromo-5-[(3-bromo-4-hydroxyphenyl)methylene]-4-(3-chloro-4-hydroxyphenyl)-2(5H)-furanone

Suppliers and Price of Rubrolide N

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 1 raw suppliers

Chemical Property of Rubrolide N

Chemical Property:

Vapor Pressure:2.38E-14mmHg at 25°C
Boiling Point:586.4°Cat760mmHg
Flash Point:308.5°C
Density:1.994g/cm³
XLogP3:5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:471.85356
Heavy Atom Count:24
Complexity:577

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C=C2C(=C(C(=O)O2)Br)C3=CC(=C(C=C3)O)Cl)Br)O
Isomeric SMILES:C1=CC(=C(C=C1/C=C\2/C(=C(C(=O)O2)Br)C3=CC(=C(C=C3)O)Cl)Br)O

Technology Process of Rubrolide N

There total 2 articles about Rubrolide N 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: 51.0%

: (Z)-3-bromo-4-(3-chloro-4-methoxyphenyl)-5-[1-(3-bromo-4-methoxyphenyl)methylidene]-2(5H)-furanone

: 287965-29-1
rubrolide N

: (Z)-3-bromo-4-(3-chloro-4-hydroxyphenyl)-5-[1-(3-bromo-4-methoxyphenyl)methylidene]-2(5H)-furanone

Guidance literature:: With boron tribromide; In dichloromethane; at 20 ℃; for 48h;
DOI:10.1016/S0040-4020(01)01017-1

Reference yield:

: 401942-59-4
3-bromo-4-(3-chloro-4-methoxyphenyl)-2(5H)-furanone

: 287965-29-1
rubrolide N

Guidance literature:: Multi-step reaction with 2 steps

1.1: tert-butyldimethylsilyl trifluoromethanesulfonate; diisopropylethylamine / CH₂Cl₂ / 2 h / 20 °C

1.2: 87 percent / 1,8-diazabicyclo[5.4.0]undec-7-ene / CH₂Cl₂ / 4.5 h / 20 °C

2.1: 47 percent / BBr₃ / CH₂Cl₂ / 48 h / 20 °C

With t-butyldimethylsiyl triflate; boron tribromide; N-ethyl-N,N-diisopropylamine; In dichloromethane;
DOI:10.1016/S0040-4020(01)01017-1