Unii-4V7CN33O10

Base Information

Chemical Name:Unii-4V7CN33O10
CAS No.:813426-25-4
Molecular Formula:C₃₀H₂₆ClFN₂O₅
Molecular Weight:548.998
Hs Code.:
UNII:4V7CN33O10
Wikidata:Q27260551
Pharos Ligand ID:NZKKXR5TFG6M
ChEMBL ID:CHEMBL249741

Synonyms:RWJ-676070

Suppliers and Price of Unii-4V7CN33O10

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of Unii-4V7CN33O10

Chemical Property:

XLogP3:5.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:548.1514278
Heavy Atom Count:39
Complexity:977

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=C(C=CC(=C1)C(=O)N2CCC3(CCC(=C3)C(=O)O)CC4=CC=CC=C42)NC(=O)C5=C(C=CC(=C5)F)Cl
Isomeric SMILES:COC1=C(C=CC(=C1)C(=O)N2CC[C@@]3(CCC(=C3)C(=O)O)CC4=CC=CC=C42)NC(=O)C5=C(C=CC(=C5)F)Cl

Technology Process of Unii-4V7CN33O10

There total 2 articles about Unii-4V7CN33O10 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%

: ((4R)-1-[4-(2-chloro-5-fluorobenzoyl)amino-3-methoxybenzoyl]-1,2,3,5-tetrahydro-spiro {4H-1-benzazepine-4,1'-[2]cyclopentene}-3'-carboxylic acid ethyl ester)

: 813426-25-4
RWJ-676070

Guidance literature:: ((4R)-1-[4-(2-chloro-5-fluorobenzoyl)amino-3-methoxybenzoyl]-1,2,3,5-tetrahydro-spiro {4H-1-benzazepine-4,1'-[2]cyclopentene}-3'-carboxylic acid ethyl ester); With lithium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 24h;

With hydrogenchloride; In tetrahydrofuran; water;

Reference yield:

: 1000181-45-2
C₃₂H₃₀ClFN₂O₅

: 813426-25-4
RWJ-676070

: C₃₀H₂₆ClFN₂O₅

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; ethanol;
DOI:10.1016/j.bmcl.2007.09.059

Reference yield:

: 813426-25-4
RWJ-676070

: 1092408-85-9
C₃₀H₂₇ClFN₃O₄

Guidance literature:: RWJ-676070; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 0.666667h;

With ammonia; In dichloromethane; water; N,N-dimethyl-formamide; for 5.08333h;