Unii-6ryq64Z587

Base Information

Chemical Name:Unii-6ryq64Z587
CAS No.:156672-01-4
Molecular Formula:C₂₉H₃₉N₃O₄
Molecular Weight:493.646
Hs Code.:
UNII:6RYQ64Z587
Nikkaji Number:J925.729B
ChEMBL ID:CHEMBL2112795

Synonyms:CI 1015;CI-1015;tricyclo(3.3.1.1)dec-2-yl-(1S-(1alpha(S)2beta)-2-((2-hydroxycyclohexyl)amino)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxoethyl)carbamate

Suppliers and Price of Unii-6ryq64Z587

Supply Marketing:

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

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Chemical Property of Unii-6ryq64Z587

Chemical Property:

Vapor Pressure:1.67E-24mmHg at 25°C
Boiling Point:763.4°Cat760mmHg
Flash Point:415.5°C
Density:1.27g/cm³
XLogP3:4.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:493.29405673
Heavy Atom Count:36
Complexity:807

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CC1=CNC2=CC=CC=C21)(C(=O)NC3CCCCC3O)NC(=O)OC4C5CC6CC(C5)CC4C6
Isomeric SMILES:C[C@@](CC1=CNC2=CC=CC=C21)(C(=O)N[C@H]3CCCC[C@@H]3O)NC(=O)OC4C5CC6CC(C5)CC4C6

Technology Process of Unii-6ryq64Z587

There total 8 articles about Unii-6ryq64Z587 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:

: 931-15-7,931-16-8,6850-38-0,6982-39-4,33092-82-9,38898-70-3,74111-21-0,108267-20-5
(1S,2S)-trans-2-aminocyclohexanol

: 130406-40-5
N-[(2-adamantyloxy)-carbonyl]-α-methyl-R-tryptophane

: 156672-01-4
PD 144598

Guidance literature:: With 1-hydroxybenzotriazol-hydrate; dicyclohexyl-carbodiimide; Yield given. Multistep reaction; 1.) EtAcO, RT, 2 h, 2.) EtAcO, overnight;
DOI:10.1021/jm970065l

Reference yield:

: 931-15-7,931-16-8,6850-38-0,6982-39-4,33092-82-9,38898-70-3,74111-21-0,108267-20-5
(1R,2R)-2-aminocyclohexanol

: 130406-40-5
N-[(2-adamantyloxy)-carbonyl]-α-methyl-R-tryptophane

: 156672-01-4
[(R)-1-((1R,2R)-2-Hydroxy-cyclohexylcarbamoyl)-2-(1H-indol-3-yl)-1-methyl-ethyl]-carbamic acid adamantan-2-yl ester

Guidance literature:: With 1-hydroxybenzotriazol-hydrate; dicyclohexyl-carbodiimide; Yield given. Multistep reaction; 1.) EtAcO, RT, 2 h, 2.) EtAcO, overnight;
DOI:10.1021/jm970065l

Reference yield:

: 286-20-4
cyclohexane-1,2-epoxide

: 156672-01-4
[(R)-1-((1R,2R)-2-Hydroxy-cyclohexylcarbamoyl)-2-(1H-indol-3-yl)-1-methyl-ethyl]-carbamic acid adamantan-2-yl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) Me₃Al / 1.) CH₂Cl₂, 0 deg C - 5 deg C, toluene, 45 min, 2.) CH₂Cl₂, toluene, RT, overnight

2: ammonium formate, 10percent Pd/C / methanol / Ambient temperature

3: 1.) N,N'-dicyclohexylcarbodiimide, 1-hydroxybenzotriazole hydrate / 1.) EtAcO, RT, 2 h, 2.) EtAcO, overnight

With palladium on activated charcoal; trimethylaluminum; ammonium formate; 1-hydroxybenzotriazol-hydrate; dicyclohexyl-carbodiimide; In methanol;
DOI:10.1021/jm970065l