Anhydrorhodovibrin

Base Information

• Chemical Name: Anhydrorhodovibrin
• CAS No.: 5085-16-5
• Molecular Formula: C41H58O
• Molecular Weight: 566.9
• DSSTox Substance ID: DTXSID401240051
• Nikkaji Number: J15.730I
• Wikidata: Q27149264
• Metabolomics Workbench ID: 28893
• Mol file: 5085-16-5.mol

Synonyms:Anhydrorhodovibrin;Lycopene, 3,4-didehydro-1,2-dihydro-1-methoxy-, all-trans-;5085-16-5;.psi.,.psi.-Carotene, 3,4-didehydro-1,2-dihydro-1-methoxy-;All-trans-anhydrorhodovibrin;Anhydrorhodovibrin, all-trans-;SCHEMBL2840811;1-methoxy-3,4-didehydrolycopene;CHEBI:80148;OCDSWQXGIQUZCF-AGVJHCIFSA-N;DTXSID401240051;Rhodovibrin, anhydro-, all-trans-;LMPR01070135;(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene;(3E)-3,4-Didehydro-1,2-dihydro-psi,psi-carotene #;Q27149264

Chemical Property of Anhydrorhodovibrin

Chemical Property:

• Melting Point: 174 - 175 °C (light petroleum)
• PSA: 9.23000
• LogP: 12.56290
• XLogP3: 14.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 17
• Exact Mass: 566.448766469
• Heavy Atom Count: 42
• Complexity: 1200

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC)C)C)C)C
• Isomeric SMILES: CC(=CCC/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/CC(C)(C)OC)/C)/C)/C)C

Technology Process of Anhydrorhodovibrin

There total 10 articles about Anhydrorhodovibrin 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: 42.0%

C21H30O2 + C38H44P(1+)*Br(1-) → anhydrorhodovibrin (5085-16-5)

Guidance literature:

With sodium hydride; In tetrahydrofuran; Reflux;

DOI:10.1055/s-0032-1317678

Reference yield:

crocetindial (502-70-5) → Anhydro-rhodovibrin (5085-16-5,23444-79-3)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOMe / benzene; methanol

2: NaOMe / methanol

With sodium methylate; In methanol; benzene;

DOI:10.1021/jo01339a040

Reference yield:

(3,7-dimethyl-2,6-octadienyl)-triphenylphosphonium bromide (41273-34-1) → Anhydro-rhodovibrin (5085-16-5,23444-79-3)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOMe / benzene; methanol

2: NaOMe / methanol

With sodium methylate; In methanol; benzene;

DOI:10.1021/jo01339a040

upstream raw materials:

(3,7-dimethyl-2,6-octadienyl)-triphenylphosphonium bromide

crocetindial

(7-methoxy-3,7-dimethyl-2,4-octadien-1-yl)triphenylphosphonium bromide

(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenal