(R)-Serabenast

Base Information

Chemical Name:(R)-Serabenast
CAS No.:103187-09-3
Molecular Formula:C₂₂H₂₆O₄
Molecular Weight:354.446
Hs Code.:
UNII:VW86X3QE6F
ChEMBL ID:CHEMBL71879
Nikkaji Number:J386.415D

Synonyms:(R)-Serabenast;R-Seratrodast;Seratrodast, (R)-;VW86X3QE6F;UNII-VW86X3QE6F;(R)-(+)-Aa 2414;CHEMBL71879;103187-09-3;Benzeneheptanoic acid, zeta-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-, (R)-;Benzeneheptanoic acid, zeta-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-, (zetaR)-;SCHEMBL98403;ZBVKEHDGYSLCCC-GOSISDBHSA-N;BDBM50228336;()-2,4,5-Trimethyl-3,6-dioxo--phenyl-1,4-cyclohexadiene-1-heptanoic acid;(7R)-(+)-7-(3,5,6-trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic acid;BENZENEHEPTANOIC ACID, .ZETA.-(2,4,5-TRIMETHYL-3,6-DIOXO-1,4-CYCLOHEXADIEN-1-YL)-, (.ZETA.R)-;BENZENEHEPTANOIC ACID, .ZETA.-(2,4,5-TRIMETHYL-3,6-DIOXO-1,4-CYCLOHEXADIEN-1-YL)-, (R)-

Suppliers and Price of (R)-Serabenast

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 (R)-Serabenast

Chemical Property:

XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:354.18310931
Heavy Atom Count:26
Complexity:633

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C
Isomeric SMILES:CC1=C(C(=O)C(=C(C1=O)C)[C@H](CCCCCC(=O)O)C2=CC=CC=C2)C

Technology Process of (R)-Serabenast

There total 6 articles about (R)-Serabenast 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:

: 148989-73-5
7-(2,5-Dihydroxy-3,4,6-trimethyl-phenyl)-7-phenyl-heptanoic acid

: 103187-09-3,103186-19-2
(+)-AA 2414

Guidance literature:: With iron(III) chloride; In tetrahydrofuran; for 0.5h; Yield given; Ambient temperature;
DOI:10.1021/jm00129a030

Reference yield:

: 14794-32-2
ethyl 6-(chloroformyl)hexanoate

: 103187-09-3,103186-19-2
(+)-AA 2414

Guidance literature:: Multi-step reaction with 5 steps

1: AlCl₃ / 2 h / 90 °C

2: NaBH₄ / methanol / 0.5 h / 0 °C

3: 95 percent / 2.5 N NaOH / tetrahydrofuran / 3 h / 70 °C

4: boron trifluoride etherate / toluene / 2 h / 60 °C

5: aq. FeCl₃ / tetrahydrofuran / 0.5 h / Ambient temperature

With sodium hydroxide; sodium tetrahydroborate; aluminium trichloride; boron trifluoride diethyl etherate; iron(III) chloride; In tetrahydrofuran; methanol; toluene;
DOI:10.1021/jm00129a030

Reference yield:

: 33018-91-6
7-ethoxy-7-oxoheptanoic acid

: 103187-09-3,103186-19-2
(+)-AA 2414

Guidance literature:: Multi-step reaction with 6 steps

1: 98 percent / SOCl₂ / CH₂Cl₂ / 2 h / 50 °C

2: AlCl₃ / 2 h / 90 °C

3: NaBH₄ / methanol / 0.5 h / 0 °C

4: 95 percent / 2.5 N NaOH / tetrahydrofuran / 3 h / 70 °C

5: boron trifluoride etherate / toluene / 2 h / 60 °C

6: aq. FeCl₃ / tetrahydrofuran / 0.5 h / Ambient temperature

With sodium hydroxide; sodium tetrahydroborate; aluminium trichloride; thionyl chloride; boron trifluoride diethyl etherate; iron(III) chloride; In tetrahydrofuran; methanol; dichloromethane; toluene;
DOI:10.1021/jm00129a030