Rumbrin

Base Information

Chemical Name:Rumbrin
CAS No.:150206-14-7
Molecular Formula:C₂₀H₂₀ClNO₃
Molecular Weight:357.837
Hs Code.:2934999090
Nikkaji Number:J549.640C
Wikidata:Q75058865
Metabolomics Workbench ID:118461
ChEMBL ID:CHEMBL4762505
Mol file:150206-14-7.mol

Synonyms:6-(8-(3-chloro-1H-pyrrol-2-yl)-1-methyl-1,3,5,7-octatetraenyl)-4-methoxy-3-methyl-2H-pyran-2-one;rumbrin

Suppliers and Price of Rumbrin

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
(Z,E,E,E)-6-(8-(3-CHLORO-1H-PYRROL-2-YL)-1-METHYL-1,3,5,7-OCTATETRAENYL)-4-METHOXY-3-METHYL-2H-PYRAN-2-ONE 95.00%
5MG
$ 497.96

Total 1 raw suppliers

Chemical Property of Rumbrin

Chemical Property:

PSA：55.23000
LogP:5.16740
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:357.1131712
Heavy Atom Count:25
Complexity:683

Purity/Quality:: (Z,E,E,E)-6-(8-(3-CHLORO-1H-PYRROL-2-YL)-1-METHYL-1,3,5,7-OCTATETRAENYL)-4-METHOXY-3-METHYL-2H-PYRAN-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=C(OC1=O)C(=CC=CC=CC=CC2=C(C=CN2)Cl)C)OC
Isomeric SMILES:CC1=C(C=C(OC1=O)/C(=C\C=C\C=C\C=C\C2=C(C=CN2)Cl)/C)OC

Technology Process of Rumbrin

There total 9 articles about Rumbrin 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:

: C₂₁H₂₂ClNO₅S

: 150206-14-7
12E-isorumbrin

: C₂₀H₂₀ClNO₃

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 0.5h;
DOI:10.1021/jm100619x

Reference yield:

: 921603-47-6
4-methoxy-5-methyl-6-oxo-6H-pyran-2-carbaldehyde

: 150206-14-7
12E-isorumbrin

: C₂₀H₂₀ClNO₃

Guidance literature:: Multi-step reaction with 7 steps

1: tetrahydrofuran; diethyl ether / 0.5 h / 20 °C

2: Dess-Martin periodane / dichloromethane / 1 h / 20 °C

3: triphenylphosphine / dichloromethane / 0.5 h / 20 °C

4: methyl phosphite; triethylamine / N,N-dimethyl-formamide / 1 h / 20 °C

5: 1-methyl-pyrrolidin-2-one; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; triphenyl-arsane / 6 h / 20 °C

6: tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; triphenyl-arsane; potassium hydroxide / tetrahydrofuran; water / 0.42 h / 20 °C

7: tetrabutyl ammonium fluoride / tetrahydrofuran / 0.5 h / 20 °C

With 1-methyl-pyrrolidin-2-one; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; methyl phosphite; triphenyl-arsane; tetrabutyl ammonium fluoride; Dess-Martin periodane; triethylamine; triphenylphosphine; potassium hydroxide; In tetrahydrofuran; diethyl ether; dichloromethane; water; N,N-dimethyl-formamide; 2: Dess-Martin oxidation / 5: Stille coupling / 6: Suzuki coupling;
DOI:10.1021/jm100619x

Reference yield:

: 1263054-71-2,1206805-25-5
6-(1-hydroxyethyl)-4-methoxy-3-methyl-2H-pyran-2-one

: 150206-14-7
12E-isorumbrin

: C₂₀H₂₀ClNO₃

Guidance literature:: Multi-step reaction with 6 steps

1: Dess-Martin periodane / dichloromethane / 1 h / 20 °C

2: triphenylphosphine / dichloromethane / 0.5 h / 20 °C

3: methyl phosphite; triethylamine / N,N-dimethyl-formamide / 1 h / 20 °C

4: 1-methyl-pyrrolidin-2-one; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; triphenyl-arsane / 6 h / 20 °C

5: tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; triphenyl-arsane; potassium hydroxide / tetrahydrofuran; water / 0.42 h / 20 °C

6: tetrabutyl ammonium fluoride / tetrahydrofuran / 0.5 h / 20 °C

With 1-methyl-pyrrolidin-2-one; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; methyl phosphite; triphenyl-arsane; tetrabutyl ammonium fluoride; Dess-Martin periodane; triethylamine; triphenylphosphine; potassium hydroxide; In tetrahydrofuran; dichloromethane; water; N,N-dimethyl-formamide; 1: Dess-Martin oxidation / 4: Stille coupling / 5: Suzuki coupling;
DOI:10.1021/jm100619x