Velleral

Base Information

Chemical Name:Velleral
CAS No.:50656-61-6
Molecular Formula:C₁₅H₂₀O₂
Molecular Weight:232.323
Hs Code.:2912299000
UNII:MS9HB5PQ54
ChEMBL ID:CHEMBL479316
DSSTox Substance ID:DTXSID301030304
Metabolomics Workbench ID:110459
Nikkaji Number:J10.333K
Wikidata:Q7919171
Wikipedia:Velleral
Mol file:50656-61-6.mol

Synonyms:(3aR,8R,8aR)-2,2,8-trimethyl-3,3a,8,8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde;lactarane;velleral

Suppliers and Price of Velleral

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 3 raw suppliers

Chemical Property of Velleral

Chemical Property:

Vapor Pressure:5.39E-05mmHg at 25°C
Boiling Point:347.4°C at 760 mmHg
Flash Point:130.3°C
PSA：34.14000
Density:1.092g/cm³
LogP:2.93910
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:232.146329876
Heavy Atom Count:17
Complexity:401

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C=C(C(=CC2C1CC(C2)(C)C)C=O)C=O
Isomeric SMILES:C[C@H]1C=C(C(=C[C@H]2[C@@H]1CC(C2)(C)C)C=O)C=O

Technology Process of Velleral

There total 6 articles about Velleral 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: 32.0%

: stearoylvelutinal

: 50656-61-6
Velleral

Guidance literature:: at 37 ℃; for 24h; human saliva;
DOI:10.1248/cpb.42.1542

Reference yield:

: (3aR,4R,8aR)-7-Dimethoxymethyl-2,2,4-trimethyl-1,2,3,3a,4,8a-hexahydro-azulene-6-carboxylic acid methyl ester

: 50656-61-6,68691-04-3,68691-19-0
(+/-)-Velleral Racemat

Guidance literature:: Multi-step reaction with 2 steps

1: iBu₂AlH / toluene

2: (i) MnO₂, CCl₄, (ii) TsOH, H₂O, acetone

With diisobutylaluminium hydride; In toluene;
DOI:10.1021/ja00489a030

Reference yield:

: 86533-37-1
6-ketostearylvelutinal

: 50656-61-6
Velleral

Guidance literature:: In hexane; at 0 - 2 ℃; probably by enzymatic reactions during isolation of the parent compound;
DOI:10.1016/S0040-4039(00)81670-6