1-[2-[bis[4-(trifluoromethyl)phenyl]methoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid

Base Information

Chemical Name:1-[2-[bis[4-(trifluoromethyl)phenyl]methoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
CAS No.:110283-79-9
Molecular Formula:C₂₃H₂₁F₆NO₃
Molecular Weight:473.415
Hs Code.:
UNII:4HVE799MEJ
DSSTox Substance ID:DTXSID90149194
Nikkaji Number:J356.113E
Wikipedia:CI-966
Wikidata:Q15410874
Pharos Ligand ID:HN271TVVWAW9
ChEMBL ID:CHEMBL77287
Mol file:110283-79-9.mol

Synonyms:1-(2-(bis(4-(trifluoromethyl)phenyl)methox)ethyl)-1,2,5,6-tetrahydro-3-pyrdinecarboxylic acid;CI 966;CI-966;CI-966 free base

Suppliers and Price of 1-[2-[bis[4-(trifluoromethyl)phenyl]methoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of 1-[2-[bis[4-(trifluoromethyl)phenyl]methoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid

Chemical Property:

Vapor Pressure:2.16E-11mmHg at 25°C
Boiling Point:514.1°Cat760mmHg
Flash Point:264.7°C
PSA：49.77000
Density:1.34g/cm³
LogP:5.48480
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:473.14256250
Heavy Atom Count:33
Complexity:643

Purity/Quality:: >98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CC(=C1)C(=O)O)CCOC(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F

Technology Process of 1-[2-[bis[4-(trifluoromethyl)phenyl]methoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid

There total 5 articles about 1-[2-[bis[4-(trifluoromethyl)phenyl]methoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid 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:

: 132284-15-2
1,2,5,6-tetrahydro-1-<2-methoxy>ethyl>-3-pyridinecarboxylic acid methyl ester

: 110283-79-9
1,2,5,6-tetrahydro-1-<2-methoxy>ethyl>-3-pyridinecarboxylic acid

Guidance literature:: With lithium hydroxide; In methanol; for 64h; Ambient temperature;
DOI:10.1021/jm00100a032

Reference yield:

: 455-19-6
4-Trifluoromethylbenzaldehyde

: 110283-79-9
1,2,5,6-tetrahydro-1-<2-methoxy>ethyl>-3-pyridinecarboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) Mg / 1.) Et₂O, 2.) Et₂O, a) reflux, 1.5 h, b) RT, 16 h

2: 72.6 percent / conc. H₂SO₄ / toluene / 2 h / 85 - 90 °C

3: 97.2 g / K₂CO₃ / acetonitrile / 15 h / Heating

4: 2 N aq. LiOH / methanol / 64 h / Ambient temperature

With lithium hydroxide; sulfuric acid; potassium carbonate; magnesium; In methanol; toluene; acetonitrile;
DOI:10.1021/jm00100a032

Reference yield:

: 402-43-7
p-trifluoromethylphenyl bromide

: 110283-79-9
1,2,5,6-tetrahydro-1-<2-methoxy>ethyl>-3-pyridinecarboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) Mg / 1.) Et₂O, 2.) Et₂O, a) reflux, 1.5 h, b) RT, 16 h

2: 72.6 percent / conc. H₂SO₄ / toluene / 2 h / 85 - 90 °C

3: 97.2 g / K₂CO₃ / acetonitrile / 15 h / Heating

4: 2 N aq. LiOH / methanol / 64 h / Ambient temperature

With lithium hydroxide; sulfuric acid; potassium carbonate; magnesium; In methanol; toluene; acetonitrile;
DOI:10.1021/jm00100a032