3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid

Base Information

Chemical Name:3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid
CAS No.:161036-57-3
Molecular Formula:C₁₈H₂₁NO₄
Molecular Weight:315.369
Hs Code.:
DSSTox Substance ID:DTXSID101198419
ChEMBL ID:CHEMBL597459

Synonyms:GNF-Pf-656;Oprea1_023614;CHEMBL597459;SCHEMBL8087323;DTXSID101198419;0KPI-0043;SR-01000078516;SR-01000078516-1;3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid;161036-57-3

Suppliers and Price of 3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid

Supply Marketing:

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

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Chemical Property of 3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:315.14705815
Heavy Atom Count:23
Complexity:504

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)[N+](=O)[O-])CC(=O)O

Technology Process of 3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid

There total 3 articles about 3-(4-Nitrophenyl)tricyclo[3.3.1.13,7]decane-1-acetic acid 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: 71.0%

: 161036-56-2
3-phenyl-1-tricyclo[3.3.1.1^3,7]decaneacetic acid

: 1424323-16-9
[3-(2,4-dinitrophenyl)-1-adamantyl]acetic acid

: 161036-57-3
2-[3-(4-nitrophenyl)-1-adamantyl]acetic acid

Guidance literature:: With nitric acid; acetic acid; trifluoroacetic anhydride; at 0 - 5 ℃;
DOI:10.1016/j.bmc.2012.12.001

Reference yield:

: 4942-47-6
(adamant-1-yl)-acetic acid

: 161036-57-3
2-[3-(4-nitrophenyl)-1-adamantyl]acetic acid

Guidance literature:: Multi-step reaction with 3 steps

1: sulfuric acid; t-butyl bromide / tetrachloromethane / 2 h / 10 - 20 °C

2: aluminum (III) chloride / 100 - 130 °C / Microwave irradiation

3: nitric acid; trifluoroacetic anhydride; acetic acid / 0 - 5 °C

With aluminum (III) chloride; t-butyl bromide; sulfuric acid; nitric acid; acetic acid; trifluoroacetic anhydride; In tetrachloromethane; 2: |Friedel-Crafts Alkylation;
DOI:10.1016/j.bmc.2012.12.001