6-(Tert-butoxycarbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid

Base Information

• Chemical Name: 6-(Tert-butoxycarbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid
• CAS No.: 259809-49-9
• Molecular Formula: C14H18 N2 O4
• Molecular Weight: 278.308
• European Community (EC) Number: 810-316-8
• DSSTox Substance ID: DTXSID201147657
• Mol file: 259809-49-9.mol

Synonyms:259809-49-9;6-(TERT-BUTOXYCARBONYL)-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE-2-CARBOXYLIC ACID;6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic Acid;6-[(tert-butoxy)carbonyl]-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid;1,6-NAPHTHYRIDINE-2,6(5H)-DICARBOXYLIC ACID, 7,8-DIHYDRO-, 6-(1,1-DIMETHYLETHYL) ESTER;SCHEMBL3985607;DTXSID201147657;MFCD09038019;AB49499;AS-39962;CS-0099548;FT-0745377;EN300-4350280;A934334;Z3244816282;6-BOC-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE-2-CARBOXYLIC ACID;1,6-Naphthyridine-2,6(5H)-dicarboxylicacid,7,8-dihydro-,6-(1,1-dimethylethyl)ester;6-(1,1-Dimethylethyl) 7,8-dihydro-1,6-naphthyridine-2,6(5H)-dicarboxylate

Chemical Property of 6-(Tert-butoxycarbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid

Chemical Property:

• Melting Point: 181-185 °C
• Boiling Point: 440.5±45.0 °C(Predicted)
• PKA: 1.07±0.20(Predicted)
• PSA: 79.73000
• Density: 1.263±0.06 g/cm3(Predicted)
• LogP: 2.01090
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 278.12665706
• Heavy Atom Count: 20
• Complexity: 391

Purity/Quality:

99%HPLC ^*data from raw suppliers

6-(tert-Butoxycarbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=N2)C(=O)O

Technology Process of 6-(Tert-butoxycarbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid

There total 8 articles about 6-(Tert-butoxycarbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-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: 100.0%

6-(tert-butoxycarbonyl)-2-methoxycarbonyl-5,6,7,8-tetrahydro-1,6-naphthyridine (259809-47-7) → 6-(tert-butoxycarbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid (259809-49-9)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; methanol; for 3h; Heating;

DOI:10.1021/jm049884d

Reference yield:

1-phenylmethyl-4-piperidone (3612-20-2) → 6-(tert-butoxycarbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid (259809-49-9)

Guidance literature:

Multi-step reaction with 8 steps

1: Et₃N; pyridinium acetate / 22 h / 120 °C

2: H₂; AcOH / Pd/C / 2 h / 50 - 60 °C

3: 981 mg / aq. NaOH / toluene / 0.17 h

4: 98 percent / m-chloroperbenzoic acid / CH₂Cl₂ / 0.5 h / 0 °C

5: 88 percent / N,N-dimethylcarbamyl chloride / CH₂Cl₂ / 41 h / 20 °C

6: aq. HCl / 3 h / 100 °C

7: 955 mg / tetrahydrofuran; H₂O / 0.5 h

8: 100 percent / aq. NaOH / methanol; tetrahydrofuran / 3 h / Heating

With hydrogenchloride; sodium hydroxide; hydrogen; pyridinium acetate; acetic acid; triethylamine; 3-chloro-benzenecarboperoxoic acid; N,N-Dimethylcarbamoyl chloride; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; water; toluene;

DOI:10.1021/jm049884d

Reference yield:

6-benzyl-5,6,7,8-tetrahydro-1,6-naphthyridine (75510-02-0) → 6-(tert-butoxycarbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid (259809-49-9)

Guidance literature:

Multi-step reaction with 7 steps

1: H₂; AcOH / Pd/C / 2 h / 50 - 60 °C

2: 981 mg / aq. NaOH / toluene / 0.17 h

3: 98 percent / m-chloroperbenzoic acid / CH₂Cl₂ / 0.5 h / 0 °C

4: 88 percent / N,N-dimethylcarbamyl chloride / CH₂Cl₂ / 41 h / 20 °C

5: aq. HCl / 3 h / 100 °C

6: 955 mg / tetrahydrofuran; H₂O / 0.5 h

7: 100 percent / aq. NaOH / methanol; tetrahydrofuran / 3 h / Heating

With hydrogenchloride; sodium hydroxide; hydrogen; acetic acid; 3-chloro-benzenecarboperoxoic acid; N,N-Dimethylcarbamoyl chloride; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; water; toluene;

DOI:10.1021/jm049884d

upstream raw materials:

6-(tert-butoxycarbonyl)-2-methoxycarbonyl-5,6,7,8-tetrahydro-1,6-naphthyridine

1-phenylmethyl-4-piperidone

5,6,7,8-tetrahydro-1,6-naphthyridine

6-benzyl-5,6,7,8-tetrahydro-1,6-naphthyridine

Downstream raw materials:

1,1-dimethylethyl 2-[({1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}amino)carbonyl]-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate

1,1-dimethylethyl 2-[({5-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl}amino)carbonyl]-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate

1,1-dimethylethyl 2-[({5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl}amino)carbonyl]-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate

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