Spheroidene

Base Information

Chemical Name:Spheroidene
CAS No.:13836-61-8
Molecular Formula:C41H60 O
Molecular Weight:568.927
Hs Code.:
DSSTox Substance ID:DTXSID701318186
Nikkaji Number:J1.035.090E,J13.215B
Wikidata:Q27116458
Metabolomics Workbench ID:28879
Mol file:13836-61-8.mol

Synonyms:1-methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-psi,psi-carotene;all-trans-spheroidene;spheroidene

Suppliers and Price of Spheroidene

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 7 raw suppliers

Chemical Property of Spheroidene

Chemical Property:

Vapor Pressure:4.05E-17mmHg at 25°C
Melting Point:135-138 °C
Boiling Point:671.1°Cat760mmHg
Flash Point:349.1°C
PSA：9.23000
Density:0.897g/cm³
LogP:12.78690
XLogP3:14.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:18
Exact Mass:568.464416533
Heavy Atom Count:42
Complexity:1150

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CCCC(=CCCC(=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/CC/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 Spheroidene

There total 53 articles about Spheroidene 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:

: 130681-68-4
4-(diethylphosphono)-2-methyl-2-butenenitrile

: 13836-61-8
spheroidene

Guidance literature:: Multi-step reaction with 3 steps

1: 1. BuLi / 1. THF, hexane, -50 deg C to 0 deg C, 15 min; 2. THF, r.t., 45 min

2: 1. Dibal-H; 2. I2 / 1. petroleum ether, hexane, -70 deg C to -20 deg C, 2. hexane, h*ν, 1 h

3: 1. BuLi / 1. THF, hexane, -30 deg C to r.t.; 2. THF, r.t., 1.5 h

With n-butyllithium; iodine; diisobutylaluminium hydride;

Reference yield:

: 93040-98-3
all-E 3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentanenal

: 13836-61-8
spheroidene

Guidance literature:: Multi-step reaction with 5 steps

1: 1. BuLi / 1. hexane, THF, a.) -50 deg C to 0 deg C, b.) 0 deg C, 15 min; 2. THF, r.t., 30 min

2: 1. Dibal-H; 2. I2 / 1. petroleum ether, hexane, -70 deg C to -40 deg C; 2. hexane, h*ν, 1 h

3: 1. BuLi / 1. THF, hexane, -50 deg C to 0 deg C, 15 min; 2. THF, r.t., 45 min

4: 1. Dibal-H; 2. I2 / 1. petroleum ether, hexane, -70 deg C to -20 deg C, 2. hexane, h*ν, 1 h

5: 1. BuLi / 1. THF, hexane, -30 deg C to r.t.; 2. THF, r.t., 1.5 h

With n-butyllithium; iodine; diisobutylaluminium hydride;

Reference yield:

: 6536-66-9
all-E 12'-apo-7,8-dihydro-ψ-caroten-12'-al

: 13836-61-8
spheroidene

Guidance literature:: Multi-step reaction with 3 steps

1: 1. BuLi / 1. THF, hexane, -50 deg C to 0 deg C, 15 min; 2. THF, r.t., 45 min

2: 1. Dibal-H; 2. I2 / 1. petroleum ether, hexane, -70 deg C to -20 deg C, 2. hexane, h*ν, 1 h

3: 1. BuLi / 1. THF, hexane, -30 deg C to r.t.; 2. THF, r.t., 1.5 h

With n-butyllithium; iodine; diisobutylaluminium hydride;