Unii-PN3anl99HW

Base Information

Chemical Name:Unii-PN3anl99HW
CAS No.:183800-35-3
Molecular Formula:C₂₉H₂₉F₆N₃O₄S
Molecular Weight:629.623
Hs Code.:
UNII:PN3ANL99HW
Nikkaji Number:J1.243.877J
ChEMBL ID:CHEMBL5203517

Synonyms:R 102557;R-102557

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

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Chemical Property of Unii-PN3anl99HW

Chemical Property:

XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:13
Exact Mass:629.17829656
Heavy Atom Count:43
Complexity:907

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)SC3COC(OC3)C=CC=CC4=CC=C(C=C4)OCC(C(F)F)(F)F
Isomeric SMILES:C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)SC3COC(OC3)/C=C/C=C/C4=CC=C(C=C4)OCC(C(F)F)(F)F

Technology Process of Unii-PN3anl99HW

There total 8 articles about Unii-PN3anl99HW 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: 66.0%

: 183800-93-3
(2E,4E)-5-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-2,4-pentadienal

: 183800-60-4
(2R,3R)-2-(2,4-difluorophenyl)-3-[[2-hydroxy-1-(hydroxymethyl)ethyl]thio]-1-(1H-1,2,4-triazol-1-yl)-2-butanol

: 183800-35-3
(2R,3R)-2-(2,4-Difluorophenyl)-3-[[trans-2-[(1E,3E)-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-butadien-1-yl]-1,3-dioxan-5-yl]thio]-1-(1H-1,2,4-triazol-1-yl)-2-butanol

Guidance literature:: With 4 A molecular sieve; toluene-4-sulfonic acid; In dichloromethane; at 20 ℃; for 4h;
DOI:10.1248/cpb.48.694

Reference yield:

: 123-08-0,65581-83-1
4-hydroxy-benzaldehyde

: 183800-35-3
(2R,3R)-2-(2,4-Difluorophenyl)-3-[[trans-2-[(1E,3E)-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-butadien-1-yl]-1,3-dioxan-5-yl]thio]-1-(1H-1,2,4-triazol-1-yl)-2-butanol

Guidance literature:: Multi-step reaction with 5 steps

1.1: NaH / N,N-dimethyl-acetamide / 0 °C

1.2: 96 percent / N,N-dimethyl-acetamide / 2.3 h / 120 °C

2.1: NaH / 1,2-dimethoxy-ethane / 0.25 h / 0 °C

2.2: 1,2-dimethoxy-ethane / 0.17 h / 0 °C

3.1: DIBAL / toluene / 0.75 h / 0 °C

4.1: MnO₂ / CH₂Cl₂ / 0.5 h / 20 °C

5.1: 66 percent / p-toluenesulfonic acid hydrate; molecular sieves 4A / CH₂Cl₂ / 4 h / 20 °C

With manganese(IV) oxide; 4 A molecular sieve; sodium hydride; diisobutylaluminium hydride; toluene-4-sulfonic acid; In 1,2-dimethoxyethane; dichloromethane; N,N-dimethyl acetamide; toluene; 1.1: Metallation / 1.2: Alkylation / 2.1: Metallation / 2.2: Condensation / 3.1: Reduction / 4.1: Oxidation / 5.1: Condensation;
DOI:10.1248/cpb.48.694

Reference yield:

: 32295-56-0
S-(trans-2-phenyl-1,3-dioxane-5-yl) thioacetate

: 183800-35-3
(2R,3R)-2-(2,4-Difluorophenyl)-3-[[trans-2-[(1E,3E)-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-butadien-1-yl]-1,3-dioxan-5-yl]thio]-1-(1H-1,2,4-triazol-1-yl)-2-butanol

Guidance literature:: Multi-step reaction with 3 steps

1: 91 percent / NaOMe / dimethylformamide / 2 h / 65 °C

2: 88 percent / 4 M HCl; MeOH / dioxane / 0.5 h / 20 °C

3: 66 percent / p-toluenesulfonic acid hydrate; molecular sieves 4A / CH₂Cl₂ / 4 h / 20 °C

With hydrogenchloride; methanol; 4 A molecular sieve; sodium methylate; toluene-4-sulfonic acid; In 1,4-dioxane; dichloromethane; N,N-dimethyl-formamide; 1: Condensation / 2: Ring cleavage / 3: Condensation;
DOI:10.1248/cpb.48.694