6-tert-butyl 2-methyl 7,8-dihydro-1,6-naphthyridine-2,6(5H)-dicarboxylate

Base Information

• Chemical Name: 6-tert-butyl 2-methyl 7,8-dihydro-1,6-naphthyridine-2,6(5H)-dicarboxylate
• CAS No.: 259809-47-7
• Molecular Formula: C₁₅H₂₀N₂O₄
• Molecular Weight: 292.335
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00461379
• Wikidata: Q82285697
• Mol file: 259809-47-7.mol

Synonyms:259809-47-7;6-tert-butyl 2-methyl 7,8-dihydro-1,6-naphthyridine-2,6(5H)-dicarboxylate;7,8-Dihydro-5H-[1,6]naphthyridine-2,6-dicarboxylic acid 6-tert-butyl ester 2-methyl ester;6-(tert-butyl) 2-methyl 7,8-dihydro-1,6-naphthyridine-2,6(5H)-dicarboxylate;6-O-tert-butyl 2-O-methyl 7,8-dihydro-5H-1,6-naphthyridine-2,6-dicarboxylate;MFCD09038018;6-tert-butyl 2-methyl 5,6,7,8-tetrahydro-1,6-naphthyridine-2,6-dicarboxylate;1,6-Naphthyridine-2,6(5H)-dicarboxylic acid, 7,8-dihydro-, 6-(1,1-dimethylethyl) 2-methyl ester;SCHEMBL3302557;DTXSID00461379;SIDSQSLFPRZTOG-UHFFFAOYSA-N;AKOS016845854;SB36241;AS-74608;SY123902;CS-0035539;FT-0720167;W14940;EN300-7547114;A847544;Z1505698801;Methyl 6-Boc-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylate;6-t-Butyl 2-methyl 7,8-dihydro-1,6-naphthyridine-2,6(5H)-dicarboxylate;6-(tert-Butoxycarbonyl)-2-methoxycarbonyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-O-tert-butyl 2-O-methyl 7, 8-dihydro-5H-1, 6-naphthyridine-2, 6-dicarboxylate

Chemical Property of 6-tert-butyl 2-methyl 7,8-dihydro-1,6-naphthyridine-2,6(5H)-dicarboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.537
• Boiling Point: 432.899°C at 760 mmHg
• PKA: 1.52±0.20(Predicted)
• Flash Point: 215.61°C
• PSA: 68.73000
• Density: 1.19g/cm³
• LogP: 2.09930
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 292.14230712
• Heavy Atom Count: 21
• Complexity: 405

Purity/Quality:

98% ^*data from raw suppliers

7,8-Dihydro-5H-[1,6]naphthyridine-2,6-dicarboxylicacid6-tert-butylester2-methylester 96% ^*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)OC

Technology Process of 6-tert-butyl 2-methyl 7,8-dihydro-1,6-naphthyridine-2,6(5H)-dicarboxylate

There total 9 articles about 6-tert-butyl 2-methyl 7,8-dihydro-1,6-naphthyridine-2,6(5H)-dicarboxylate 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: 55.0%

di-tert-butyl dicarbonate (24424-99-5) + 6-(tert-butoxycarbonyl)-2-cyano-5,6,7,8-tetrahydro-1,6-naphthyridine (259809-46-6) → 6-(tert-butoxycarbonyl)-2-methoxycarbonyl-5,6,7,8-tetrahydro-1,6-naphthyridine (259809-47-7)

Guidance literature:

6-(tert-butoxycarbonyl)-2-cyano-5,6,7,8-tetrahydro-1,6-naphthyridine; With hydrogenchloride; In methanol; water; at 100 ℃; for 3h;

With sodium hydrogencarbonate; In tetrahydrofuran; methanol; water;

di-tert-butyl dicarbonate; In tetrahydrofuran; methanol; water; at 20 ℃; for 0.5h;

Reference yield:

methanol (67-56-1) + carbon monoxide (201230-82-2) + 2-chloro-7,8-dihydro-5H-[1,6]naphthyridine-6-carboxylic acid tert-butyl ester (1151665-15-4) → 6-(tert-butoxycarbonyl)-2-methoxycarbonyl-5,6,7,8-tetrahydro-1,6-naphthyridine (259809-47-7)

Guidance literature:

With 1,3-bis-(diphenylphosphino)propane; palladium diacetate; triethylamine; at 100 ℃; for 16h;

Reference yield:

1-phenylmethyl-4-piperidone (3612-20-2) → 6-(tert-butoxycarbonyl)-2-methoxycarbonyl-5,6,7,8-tetrahydro-1,6-naphthyridine (259809-47-7)

Guidance literature:

Multi-step reaction with 7 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

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

DOI:10.1021/jm049884d

upstream raw materials:

di-tert-butyl dicarbonate

5,6,7,8-tetrahydro-[1,6]naphthyridine-2-carboxylic acid methyl ester

1-phenylmethyl-4-piperidone

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

Downstream raw materials:

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

tert-butyl 2-(hydroxymethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 259809-47-7 6-TERT-BUTYL 2-METHYL 7,8-DIHYDRO-1,6-NAPHTHYRIDINE-2,6(5H)-DICARBOXYLATE

Send

Send

Metric Ton KG G Pound L ML

Send

Send