Chloroxanthin

Base Information

• Chemical Name: Chloroxanthin
• CAS No.: 2104-74-7
• Molecular Weight: 556.9
• DSSTox Substance ID: DTXSID601315591
• Nikkaji Number: J13.852E
• Wikidata: Q27149272
• Metabolomics Workbench ID: 28873
• Mol file: 2104-74-7.mol

Synonyms:Chloroxanthin;Hydroxyneurosporene;2104-74-7;Chloroxanthin/ Hydroxyneurosporene/ OH-Neurosporene;OH-Neurosporene;SCHEMBL2832876;CHEBI:80158;CHEBI:138077;DTXSID601315591;LMPR01070113;1-hydroxy-all-trans-1,2-dihydroneurosporene;1-hydroxy-all-trans-1,2-dihydro-neurosporene;1,2,7',8'-Tetrahydro-psi,psi-caroten-1-ol;Q27149272;(6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,26,30-undecaen-2-ol

Chemical Property of Chloroxanthin

Chemical Property:

• Melting Point: 139 °C
• Boiling Point: 679.4±34.0 °C(Predicted)
• PKA: 15.29±0.29(Predicted)
• Density: 0.905±0.06 g/cm3(Predicted)
• XLogP3: 14.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 18
• Exact Mass: 556.464416533
• Heavy Atom Count: 41
• Complexity: 1090

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Chloroxanthin

There total 7 articles about Chloroxanthin 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:

(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial (5056-17-7) → Chloroxanthin (2104-74-7)

Guidance literature:

Multi-step reaction with 5 steps

1: NaOMe / methanol; benzene

2: NaOMe / methanol

3: LiAlH₄ / diethyl ether

4: MnO₂ / light petroleum

5: NaOMe / methanol

With manganese(IV) oxide; lithium aluminium tetrahydride; sodium methylate; In methanol; diethyl ether; Petroleum ether; benzene;

DOI:10.1039/j39660002166

Reference yield:

all-E 12'-apo-7,8-dihydro-ψ-caroten-12'-al (6536-66-9) → Chloroxanthin (2104-74-7)

Guidance literature:

Multi-step reaction with 4 steps

1: NaOMe / methanol

2: LiAlH₄ / diethyl ether

3: MnO₂ / light petroleum

4: NaOMe / methanol

With manganese(IV) oxide; lithium aluminium tetrahydride; sodium methylate; In methanol; diethyl ether; Petroleum ether;

DOI:10.1039/j39660002166

Reference yield:

7,8-dihydro-8'-apo-ψ-caroten-8'-ol (13833-04-0) → Chloroxanthin (2104-74-7)

Guidance literature:

Multi-step reaction with 2 steps

1: MnO₂ / light petroleum

2: NaOMe / methanol

With manganese(IV) oxide; sodium methylate; In methanol; Petroleum ether;

DOI:10.1039/j39660002166

upstream raw materials:

all-E 8'-apo-7,8-dihydro-ψ-caroten-8'-al

(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

all-E 12'-apo-7,8-dihydro-ψ-caroten-12'-al

7,8-dihydro-8'-apo-ψ-caroten-8'-ol