3,3-Dimethyl-2-{3-[(morpholine-4-carbonyl)-amino]-phenyl}-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

Base Information

Chemical Name:3,3-Dimethyl-2-{3-[(morpholine-4-carbonyl)-amino]-phenyl}-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid
CAS No.:1343454-18-1
Molecular Formula:C₂₃H₂₇N₃O₄
Molecular Weight:409.485
Hs Code.:
DSSTox Substance ID:DTXSID101111596

Synonyms:SCHEMBL2530060;AFOIUJGKHSZLLA-UHFFFAOYSA-N;DTXSID101111596;1343454-18-1;3,3-dimethyl-2-{3-[(morpholine-4-carbonyl)-amino]-phenyl}-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid;6-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-3,3-dimethyl-2-[3-[(4-morpholinylcarbonyl)amino]phenyl]-

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Chemical Property of 3,3-Dimethyl-2-{3-[(morpholine-4-carbonyl)-amino]-phenyl}-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:409.20015635
Heavy Atom Count:30
Complexity:634

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(CC2=C(C=CC(=C2)C(=O)O)NC1C3=CC(=CC=C3)NC(=O)N4CCOCC4)C

Technology Process of 3,3-Dimethyl-2-{3-[(morpholine-4-carbonyl)-amino]-phenyl}-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

There total 7 articles about 3,3-Dimethyl-2-{3-[(morpholine-4-carbonyl)-amino]-phenyl}-1,2,3,4-tetrahydro-quinoline-6-carboxylic 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: 22.0%

: 1343454-20-5
3,3-dimethyl-2-{3-[(morpholine-4-carbonyl)-amino]-phenyl}-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester

: 1343454-18-1
3,3-dimethyl-2-{3-[(morpholine-4-carbonyl)-amino]-phenyl}-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

Guidance literature:: 3,3-dimethyl-2-{3-[(morpholine-4-carbonyl)-amino]-phenyl}-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester; With water; sodium hydroxide; In tetrahydrofuran; methanol; at 55 ℃; for 32h;

With hydrogenchloride; In tetrahydrofuran; methanol; water;

Reference yield:

: 99-61-6
3-nitro-benzaldehyde

: 1343454-18-1
3,3-dimethyl-2-{3-[(morpholine-4-carbonyl)-amino]-phenyl}-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

Guidance literature:: Multi-step reaction with 6 steps

1: toluene-4-sulfonic acid / toluene / 3 h / Reflux

2: water / ytterbium(III) trifluoromethanesulfonate hydrate / tetrahydrofuran / 16 h / 25 °C

3: trifluoroacetic acid; triethylsilane / 3 h / 25 °C

4: hydrogenchloride; iron / ethanol; water / 4 h / 95 °C

5: pyridine / dichloromethane / 5 h / 0 - 25 °C

6: sodium hydroxide; water / tetrahydrofuran; methanol / 32 h / 55 °C

With pyridine; hydrogenchloride; triethylsilane; water; iron; toluene-4-sulfonic acid; trifluoroacetic acid; sodium hydroxide; ytterbium(III) trifluoromethanesulfonate hydrate; In tetrahydrofuran; methanol; ethanol; dichloromethane; water; toluene; 2: Diels-Alder Reaction;

Reference yield:

: 94-09-7
p-aminoethylbenzoate

: 1343454-18-1
3,3-dimethyl-2-{3-[(morpholine-4-carbonyl)-amino]-phenyl}-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid

Guidance literature:: Multi-step reaction with 6 steps

1: toluene-4-sulfonic acid / toluene / 3 h / Reflux

2: water / ytterbium(III) trifluoromethanesulfonate hydrate / tetrahydrofuran / 16 h / 25 °C

3: trifluoroacetic acid; triethylsilane / 3 h / 25 °C

4: hydrogenchloride; iron / ethanol; water / 4 h / 95 °C

5: pyridine / dichloromethane / 5 h / 0 - 25 °C

6: sodium hydroxide; water / tetrahydrofuran; methanol / 32 h / 55 °C

With pyridine; hydrogenchloride; triethylsilane; water; iron; toluene-4-sulfonic acid; trifluoroacetic acid; sodium hydroxide; ytterbium(III) trifluoromethanesulfonate hydrate; In tetrahydrofuran; methanol; ethanol; dichloromethane; water; toluene; 2: Diels-Alder Reaction;