1-(((2R,4R)-4-((Benzyloxy)methyl)-2-(2,4-difluorophenyl)tetrahydrofuran-2-yl)methyl)-1H-1,2,4-triazole

Base Information

Chemical Name:1-(((2R,4R)-4-((Benzyloxy)methyl)-2-(2,4-difluorophenyl)tetrahydrofuran-2-yl)methyl)-1H-1,2,4-triazole
CAS No.:165115-83-3
Molecular Formula:C21 H21 F2 N3 O2
Molecular Weight:385.41
Hs Code.:
UNII:U836P4J7F9
Mol file:165115-83-3.mol

Synonyms:165115-83-3;1-[[(2R,4R)-2-(2,4-Difluorophenyl)-4-(phenylmethoxymethyl)oxolan-2-yl]methyl]-1,2,4-triazole;1-(((2R,4R)-4-((Benzyloxy)methyl)-2-(2,4-difluorophenyl)tetrahydrofuran-2-yl)methyl)-1H-1,2,4-triazo;1-(((2R,4R)-4-((Benzyloxy)methyl)-2-(2,4-difluorophenyl)tetrahydrofuran-2-yl)methyl)-1H-1,2,4-triazole;U836P4J7F9;(2R-cis)-1-[[2-(2,4-Difluorophenyl)tetrahydro-4-[(phenylmethoxy)methyl]-2-furanyl]methyl]-1H-1,2,4-triazole;1H-1,2,4-Triazole, 1-[[2-(2,4-difluorophenyl)tetrahydro-4-[(phenylmethoxy)methyl]-2-furanyl]methyl]-, (2R-cis)-

Suppliers and Price of 1-(((2R,4R)-4-((Benzyloxy)methyl)-2-(2,4-difluorophenyl)tetrahydrofuran-2-yl)methyl)-1H-1,2,4-triazole

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

TRC
1-(((2R,4R)-4-((Benzyloxy)methyl)-2-(2,4-difluorophenyl)tetrahydrofuran-2-yl)methyl)-1H-1,2,4-triazole
100mg
$ 130.00

Total 8 raw suppliers

Chemical Property of 1-(((2R,4R)-4-((Benzyloxy)methyl)-2-(2,4-difluorophenyl)tetrahydrofuran-2-yl)methyl)-1H-1,2,4-triazole

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:385.16018325
Heavy Atom Count:28
Complexity:494

Purity/Quality:

>95% ^*data from raw suppliers

1-(((2R,4R)-4-((Benzyloxy)methyl)-2-(2,4-difluorophenyl)tetrahydrofuran-2-yl)methyl)-1H-1,2,4-triazole ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(COC1(CN2C=NC=N2)C3=C(C=C(C=C3)F)F)COCC4=CC=CC=C4
Isomeric SMILES:C1[C@@H](CO[C@@]1(CN2C=NC=N2)C3=C(C=C(C=C3)F)F)COCC4=CC=CC=C4
Uses 1-(((2R,4R)-4-((Benzyloxy)methyl)-2-(2,4-difluorophenyl)tetrahydrofuran-2-yl)methyl)-1H-1,2,4-triazole is an impurity of Posaconazole (P689600), an orally active triazole antifungal.

Technology Process of 1-(((2R,4R)-4-((Benzyloxy)methyl)-2-(2,4-difluorophenyl)tetrahydrofuran-2-yl)methyl)-1H-1,2,4-triazole

There total 9 articles about 1-(((2R,4R)-4-((Benzyloxy)methyl)-2-(2,4-difluorophenyl)tetrahydrofuran-2-yl)methyl)-1H-1,2,4-triazole 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: 81.0%

: 41253-21-8
sodium triazole

: (R)-4-Benzyloxymethyl-2-(2,4-difluoro-phenyl)-2-iodomethyl-tetrahydro-furan

: 1-[(2S,4R)-4-Benzyloxymethyl-2-(2,4-difluoro-phenyl)-tetrahydro-furan-2-ylmethyl]-1H-[1,2,4]triazole

: 165115-83-3
1-[(2R,4R)-4-Benzyloxymethyl-2-(2,4-difluoro-phenyl)-tetrahydro-furan-2-ylmethyl]-1H-[1,2,4]triazole

Guidance literature:: With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; In N,N-dimethyl-formamide; at 100 ℃; for 24h; Yield given;
DOI:10.1016/0040-4039(96)01203-8

Reference yield:

: 3587-60-8
Benzyloxymethyl chloride

: 165115-83-3
1-[(2R,4R)-4-Benzyloxymethyl-2-(2,4-difluoro-phenyl)-tetrahydro-furan-2-ylmethyl]-1H-[1,2,4]triazole

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) TiCl₄; 2.) Et₃N / 1.) CH₂Cl₂, 0 deg C

2: 85 percent / LAH / tetrahydrofuran / 0 °C

3: 96 percent / I₂ / acetonitrile; pyridine / 0 - 5 °C

4: 81 percent / DMPU / dimethylformamide / 24 h / 100 °C

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; lithium aluminium tetrahydride; iodine; titanium tetrachloride; triethylamine; In tetrahydrofuran; pyridine; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1016/0040-4039(96)01203-8

Reference yield:

: 17690-16-3
benzyl bromomethyl ether

: 165115-83-3
1-[(2R,4R)-4-Benzyloxymethyl-2-(2,4-difluoro-phenyl)-tetrahydro-furan-2-ylmethyl]-1H-[1,2,4]triazole

Guidance literature:: Multi-step reaction with 4 steps

2: 85 percent / LAH / tetrahydrofuran / 0 °C

3: 96 percent / I₂ / acetonitrile; pyridine / 0 - 5 °C

4: 81 percent / DMPU / dimethylformamide / 24 h / 100 °C

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; lithium aluminium tetrahydride; iodine; In tetrahydrofuran; pyridine; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1016/0040-4039(96)01203-8