dicyclohexylamine (S)-4-fluoro-4-methyl-2-(((S)-2,2,2-trifluoro-1-(4'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)ethyl)amino)pentanoate

Base Information

Chemical Name:dicyclohexylamine (S)-4-fluoro-4-methyl-2-(((S)-2,2,2-trifluoro-1-(4'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)ethyl)amino)pentanoate
CAS No.:1064076-86-3
Molecular Formula:C₁₂H₂₃N*C₂₁H₂₃F₄NO₄S
Molecular Weight:642.799
Hs Code.:
European Community (EC) Number:700-778-8
DSSTox Substance ID:DTXSID201009950

Synonyms:1064076-86-3;dicyclohexylamine (S)-4-fluoro-4-methyl-2-(((S)-2,2,2-trifluoro-1-(4'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)ethyl)amino)pentanoate;N-cyclohexylcyclohexanamine;(2S)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanoic acid;SCHEMBL3761822;DTXSID201009950;AKOS037650760;CS-15276;CS-0014632;C13238;Dicyclohexylamine (S)-4-fluoro-4-methyl-2-(((S)-2,2,2-trifluoro-1-(4'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)ethyl)a...;dicyclohexylamine(S)-4-fluoro-4-methyl-2-(((S)-2,2,2-trifluoro-1-(4'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)ethyl)amino)pentanoate

Suppliers and Price of dicyclohexylamine (S)-4-fluoro-4-methyl-2-(((S)-2,2,2-trifluoro-1-(4'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)ethyl)amino)pentanoate

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
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Total 2 raw suppliers

Chemical Property of dicyclohexylamine (S)-4-fluoro-4-methyl-2-(((S)-2,2,2-trifluoro-1-(4'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)ethyl)amino)pentanoate

Chemical Property:

Density:1.31g/cm3 at 20℃
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:642.31144177
Heavy Atom Count:44
Complexity:820

Purity/Quality:: 99.9% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(CC(C(=O)O)NC(C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)C(F)(F)F)F.C1CCC(CC1)NC2CCCCC2
Isomeric SMILES:CC(C)(C[C@@H](C(=O)O)N[C@@H](C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)C(F)(F)F)F.C1CCC(CC1)NC2CCCCC2

Technology Process of dicyclohexylamine (S)-4-fluoro-4-methyl-2-(((S)-2,2,2-trifluoro-1-(4'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)ethyl)amino)pentanoate

There total 4 articles about dicyclohexylamine (S)-4-fluoro-4-methyl-2-(((S)-2,2,2-trifluoro-1-(4'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)ethyl)amino)pentanoate 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: 84.0%

: 875272-89-2
(S)-4-fluoro-4-methyl-2-(((S)-2,2,2-trifluoro-1-(4’-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)ethyl)amino)pentanoic acid

: 101-83-7
N-cyclohexyl-cyclohexanamine

: 1064076-86-3
(2S)-4-fluoro-4-methyl-2-({(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)biphenyl-4-yl]ethyl}amino)pentanoic acid dicyclohexylamine salt

Guidance literature:: In water; isopropyl alcohol; at 20 ℃;

Reference yield:

: 875272-89-2
(S)-4-fluoro-4-methyl-2-(((S)-2,2,2-trifluoro-1-(4’-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)ethyl)amino)pentanoic acid

: C₂₁H₂₀F₄NO₄S^(1-)*K⁽¹⁺⁾

: 101-83-7
N-cyclohexyl-cyclohexanamine

: 1064076-86-3
(2S)-4-fluoro-4-methyl-2-({(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)biphenyl-4-yl]ethyl}amino)pentanoic acid dicyclohexylamine salt

Guidance literature:: (S)-4-fluoro-4-methyl-2-(((S)-2,2,2-trifluoro-1-(4’-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)ethyl)amino)pentanoic acid; N-cyclohexyl-cyclohexanamine; In tert-butyl methyl ether; at 20 ℃; for 0.5h;

C₂₁H₂₀F₄NO₄S^(1-)*K⁽¹⁺⁾;

Reference yield:

: 875272-88-1
2,2,2-trifluoro-1-(4'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)ethane-1,1-diol

: 1064076-86-3
(2S)-4-fluoro-4-methyl-2-({(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)biphenyl-4-yl]ethyl}amino)pentanoic acid dicyclohexylamine salt

Guidance literature:: Multi-step reaction with 2 steps

1.1: potassium carbonate / methanol / 4 h / 50 °C

2.1: zinc(II) tetrahydroborate / acetonitrile; methanol / 1.5 h / -5 - 5 °C

2.2: 0.5 h / 20 °C

2.3: 1.5 h / 20 °C

With zinc(II) tetrahydroborate; potassium carbonate; In methanol; acetonitrile;