3,4,3',4'-Tetrahydrospirilloxanthin

Base Information

• Chemical Name: 3,4,3',4'-Tetrahydrospirilloxanthin
• CAS No.: 13833-01-7
• Molecular Formula: C42H64O2
• Molecular Weight: 600.96
• DSSTox Substance ID: DTXSID901347282
• Nikkaji Number: J104.497D
• Wikidata: Q27149271
• Metabolomics Workbench ID: 28898
• Mol file: 13833-01-7.mol

Synonyms:3,4,3',4'-Tetrahydrospirilloxanthin;Tetrahydrospirilloxanthin;13833-01-7;Lycopene, 1,1',2,2'-tetrahydro-1,1'-dimethoxy-, all-trans-;.psi.,.psi.-Carotene, 1,1',2,2'-tetrahydro-1,1'-dimethoxy-;(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaene;Dimethoxylycopene;SCHEMBL2834863;CHEBI:80154;LCTIOHZQWXQPIB-VYCPWLLESA-N;DTXSID901347282;LMPR01070140;3,3',4,4'-Tetrahydrospirilloxanthin;3,4,3/',4/'-Tetrahydrospirilloxanthin;(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaene;Q27149271;1,1',2,2'-Tetrahydro-psi,psi-carotene, 1,1'-dimethoxy-

Chemical Property of 3,4,3',4'-Tetrahydrospirilloxanthin

Chemical Property:

• Melting Point: 169 °C
• Boiling Point: 694.1±48.0 °C(Predicted)
• PSA: 18.46000
• Density: 0.906±0.06 g/cm3(Predicted)
• LogP: 12.63580
• XLogP3: 14
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 20
• Exact Mass: 600.49063128
• Heavy Atom Count: 44
• Complexity: 1070

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3,4,3',4'-Tetrahydrospirilloxanthin

There total 12 articles about 3,4,3',4'-Tetrahydrospirilloxanthin 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:

6-Methyl-hept-5-en-2-on (110-93-0,129085-68-3) → 1,1'-Dimethoxy-1,2,1',2'-tetrahydro-lycopen (1856-69-5,13833-01-7)

Guidance literature:

Multi-step reaction with 5 steps

1: H₂SO₄

2: liquid ammonia

3: H₂ / Lindlar / petroleum ether

4: methanol

5: (i) Li, PhBr, Et₂O, (ii) /BRN= 1713035/

With sulfuric acid; hydrogen; Lindlar's catalyst; In methanol; ammonia; Petroleum ether;

DOI:10.1021/jo01045a057

Reference yield:

6-methoxy-6-methylheptane-2-one (2153-77-7) → 1,1'-Dimethoxy-1,2,1',2'-tetrahydro-lycopen (1856-69-5,13833-01-7)

Guidance literature:

Multi-step reaction with 4 steps

1: liquid ammonia

2: H₂ / Lindlar / petroleum ether

3: methanol

4: (i) Li, PhBr, Et₂O, (ii) /BRN= 1713035/

With hydrogen; Lindlar's catalyst; In methanol; ammonia; Petroleum ether;

DOI:10.1021/jo01045a057

Reference yield:

7-methoxy-3,7-dimethyl-1-octyn-3-ol (1878-98-4) → 1,1'-Dimethoxy-1,2,1',2'-tetrahydro-lycopen (1856-69-5,13833-01-7)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂ / Lindlar / petroleum ether

2: methanol

3: (i) Li, PhBr, Et₂O, (ii) /BRN= 1713035/

With hydrogen; Lindlar's catalyst; In methanol; Petroleum ether;

DOI:10.1021/jo01045a057

upstream raw materials:

crocetindial

6-Methyl-hept-5-en-2-on

6-methoxy-6-methylheptane-2-one

7-methoxy-3,7-dimethyl-1-octyn-3-ol

Downstream raw materials:

Spirilloxanthin