7-(Dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

Base Information

• Chemical Name: 7-(Dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
• CAS No.: 204452-91-5
• Molecular Formula: C11H16 N2 O2
• Molecular Weight: 208.26
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70590322
• Wikidata: Q72468086
• Mol file: 204452-91-5.mol

Synonyms:204452-91-5;7-(Dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;7-Dimethoxymethyl-1,2,3,4-tetrahydro-[1,8]naphthyridine;1,8-Naphthyridine, 7-(dimethoxymethyl)-1,2,3,4-tetrahydro-;2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridine;KKTPPUNNCIHOFA-UHFFFAOYSA-N;SCHEMBL325378;DTXSID70590322;AMY38816;MFCD06657573;AKOS015851632;AB25608;CS-W005282;DS-17034;DB-013002;A814568;7-dimethoxymethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-Dimethoxymethyl-5,6,7,8-tetrahydro-[1,8]naphthyridine;1,8-Naphthyridine,7-(dimethoxymethyl)-1,2,3,4-tetrahydro-;Dimethoxy-1,2,3,4-tetrahydropyridino[2,3-b]pyridin-7-ylmethane;7-Dimethoxymethyl-1,2,3,4-tetrahydro-[1,8]naphthyridine, AldrichCPR;7-(Dimethoxymethyl)-1 pound not2 pound not3 pound not4-tetrahydro-1 pound not8-naphthyridine

Chemical Property of 7-(Dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 95°C
• Refractive Index: 1.523
• Boiling Point: 311°Cat760mmHg
• PKA: 10.72±0.40(Predicted)
• Flash Point: 141.9°C
• PSA: 43.38000
• Density: 1.105g/cm³
• LogP: 1.86910
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 208.121177757
• Heavy Atom Count: 15
• Complexity: 197

Purity/Quality:

97% ^*data from raw suppliers

7-(Dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: COC(C1=NC2=C(CCCN2)C=C1)OC

Technology Process of 7-(Dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

There total 6 articles about 7-(Dimethoxymethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine 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: 92.0%

2-(dimethoxymethyl)-1,8-naphthyridine (204452-90-4) → 3(S)-(6-methoxypyridin-3-yl)-3-alanine tert-butyl ester p-toluenesulfonic acid (204452-91-5)

Guidance literature:

With hydrogen; Adams’s catalyst; In ethanol; at 20 ℃; for 18h; under 760 Torr;

DOI:10.1021/jo030297u

Reference yield:

2-Aminonicotinaldehyde (7521-41-7) → 3(S)-(6-methoxypyridin-3-yl)-3-alanine tert-butyl ester p-toluenesulfonic acid (204452-91-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / NaOH / ethanol; H₂O / 1 h / 20 °C

2: 92 percent / H₂ / PtO₂ / ethanol / 18 h / 20 °C / 760 Torr

With sodium hydroxide; hydrogen; Adams’s catalyst; In ethanol; water monomer; 1: Friedlaender reaction;

DOI:10.1021/jo030297u

Reference yield:

Pyruvic aldehyde dimethyl acetal (6342-56-9) → 3(S)-(6-methoxypyridin-3-yl)-3-alanine tert-butyl ester p-toluenesulfonic acid (204452-91-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / NaOH / ethanol; H₂O / 1 h / 20 °C

2: 92 percent / H₂ / PtO₂ / ethanol / 18 h / 20 °C / 760 Torr

With sodium hydroxide; hydrogen; Adams’s catalyst; In ethanol; water monomer; 1: Friedlaender reaction;

DOI:10.1021/jo030297u

upstream raw materials:

2-(dimethoxymethyl)-1,8-naphthyridine

2-Aminonicotinaldehyde

Pyruvic aldehyde dimethyl acetal

2-Amino-6-methylpyridine

Downstream raw materials:

5,6,7,8-tetrahydro-[1,8]naphthyridine-2-carboxaldehyde

3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propane-1-amine

(S)-3-(6-methoxypyridin-3-yl)-3-(2-oxo-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoic acid

7-(dimethoxymethyl)-1-phenyl-1,2,3,4-tetrahydro-1,8-naphthyridine