Torularhodin methyl ester

Base Information

• Chemical Name: Torularhodin methyl ester
• CAS No.: 20186-11-2
• Molecular Formula: C₄₁H₅₄O₂
• Molecular Weight: 578.879
• UNII: 9UFJ9V6HC4
• DSSTox Substance ID: DTXSID00174018
• Metabolomics Workbench ID: 157265
• Wikidata: Q27273240
• Mol file: 20186-11-2.mol

Synonyms:Torularhodin methyl ester;Torularhodin, methyl ester;Torularhodin methyl ester [MI];UNII-9UFJ9V6HC4;9UFJ9V6HC4;P 497;P-497;20186-11-2;3',4'-Didehydro-beta,.psi.-caroten-16'-oic acid methyl ester;gamma-Caroten-16'-oic acid, 3',4'-didehydro-, methyl ester;SCHEMBL2832999;DTXSID00174018;.gamma.-Caroten-16'-oic acid, 3',4'-didehydro-, methyl ester;Q27273240;3',4'-DIDEHYDRO-.BETA.,.PSI.-CAROTEN-16'-OIC ACID METHYL ESTER

Chemical Property of Torularhodin methyl ester

Chemical Property:

• XLogP3: 13.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 578.412380961
• Heavy Atom Count: 43
• Complexity: 1350

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)OC)C)C
• Isomeric SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)OC)/C)/C

Technology Process of Torularhodin methyl ester

There total 2 articles about Torularhodin methyl ester 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:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 3',4'-didehydro-β,φ-caroten-16'-oic acid (514-92-1) → (1'E,3'E)-3',4'-didehydro-β,ψ-caroten-16'-oic acid methyl ester (20186-11-2,123164-08-9)

Guidance literature:

DOI:10.1002/hlca.194502801116 DOI:10.1207/S15324796ABM2403_03

Reference yield:

→ (1'E,3'E)-3',4'-didehydro-β,ψ-caroten-16'-oic acid methyl ester (20186-11-2,123164-08-9)

Guidance literature:

16-Mono-cis-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethyl-cyclohex-1-enyl)-pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaen-1-saeure-methylester (sd. Bzn., 80-105grad, unter CO2);

Reference yield:

(1'E,3'E)-3',4'-didehydro-β,ψ-caroten-16'-oic acid methyl ester (20186-11-2,123164-08-9) → 3',4'-didehydro-β,φ-caroten-16'-oic acid (514-92-1)

Guidance literature:

DOI:10.1207/S15324796ABM2403_03

upstream raw materials:

diazomethane

3',4'-didehydro-β,φ-caroten-16'-oic acid

Downstream raw materials:

3',4'-didehydro-β,φ-caroten-16'-oic acid