Inolin

Base Information

Chemical Name:Inolin
CAS No.:21650-42-0
Molecular Formula:C19H23 N O5
Molecular Weight:345.395
Hs Code.:
UNII:V1NS79K43I
DSSTox Substance ID:DTXSID80860225
Nikkaji Number:J9.922H
Wikidata:Q27291413
Pharos Ligand ID:J8XFJNCGSVLG
ChEMBL ID:CHEMBL299175
Mol file:21650-42-0.mol

Synonyms:AQ 110;AQ-110;AQ110;AQL 208;AQL-208;AQL208;CV 705;CV-705;CV705;Tetroquinol;Tretoquinol;Tretoquinol Hydrochloride;Tretoquinol Hydrochloride Anhydrous;Tretoquinol Hydrochloride, (S)-Isomer;Tretoquinol-(R);Tretoquinol-(S) HCl;Trimethoquinol;Trimetoquinol

Suppliers and Price of Inolin

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 Inolin

Chemical Property:

Melting Point:125-129 °C(Solv: methanol (67-56-1); ethyl ether (60-29-7))
Boiling Point:533.3±50.0 °C(Predicted)
PKA:9.70±0.40(Predicted)
PSA：80.18000
Density:1.235±0.06 g/cm3(Predicted)
LogP:2.88190
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:345.15762283
Heavy Atom Count:25
Complexity:409

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C=C3CCN2)O)O

Technology Process of Inolin

There total 1 articles about Inolin 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:

: 21650-42-0
trimetoquinol

Guidance literature:: 3,4,5-Trimethoxyphenylacetaldehyd, β-(3,4-Dioxyphenyl)-ethylamin, H2O/MeOH, HCl (pH 2-2.2), 25-30grad, 21 h;

Reference yield: 85.0%

: 21650-42-0
trimetoquinol

: 501-53-1,94274-21-2
benzyl chloroformate

: 80601-70-3
(+/-)-N-benzyloxycarbonyl-6,7-dihydroxy-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinoline

Guidance literature:: With sodium hydrogencarbonate; In chloroform; water; at 5 ℃; for 1h; then 2 h room temperature;
DOI:10.1248/cpb.29.2816

Reference yield:

: 21650-42-0
trimetoquinol

: 80601-72-5
(+/-)-N-benzyloxycarbonyl-6,7-dihydroxy-5-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinoline

Guidance literature:: Multi-step reaction with 3 steps

1: 85 percent / NaHCO₃ / CHCl₃; H₂O / 1 h / 5 °C / then 2 h room temperature

2: 87 percent / Et₃N / acetonitrile / 1 h / 0 °C

3: 1.) Me₂SO₄, 2.) NaBH₃CN / 1.) HMPA, 50 deg C, 1.5 h, 2.) HMPA, 70 deg C, 2 h

With sodium cyanoborohydride; sodium hydrogencarbonate; triethylamine; dimethyl sulfate; In chloroform; water; acetonitrile;
DOI:10.1248/cpb.29.2816