2-Chloro-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride

Base Information

• Chemical Name: 2-Chloro-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride
• CAS No.: 766545-20-4
• Molecular Formula: C8H9ClN2
• Molecular Weight: 205.087
• Hs Code.: 2933990090
• European Community (EC) Number: 832-118-0
• DSSTox Substance ID: DTXSID20593904
• Mol file: 766545-20-4.mol

Synonyms:766545-20-4;2-CHLORO-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE HYDROCHLORIDE;2-Chloro-5,6,7,8-tetrahydro-1,6-naphthyridine HCl;2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine;hydrochloride;1,6-Naphthyridine, 2-chloro-5,6,7,8-tetrahydro-, monohydrochloride;MFCD09835503;2-Chloro-5,6,7,8-tetrahydro-1,6-naphthyridine, HCl;SCHEMBL1017773;DTXSID20593904;FRACHJCOMOVESL-UHFFFAOYSA-N;AMY14390;BCP19287;BCP21517;CS-D0309;SC2831;AKOS015846038;SY006960;DB-014079;EN300-6487620;1,6-Naphthyridine, 2-chloro-5,6,7,8-tetrahydro;J-508805;W-206592;2-chloro-5,6,7,8-tetrahydro-[1,6]naphthyridine hydrochloride;5,6,7,8-Tetrahydro-2-chloro-1,6-naphthyridine hydrochloride;2-CHLORO-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINEHYDROCHLORIDE;2-Chloro-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride (1:1);2-Chloro-5,6,7,8-tetrahydro-1,6-naphthyridine--hydrogen chloride (1/1);2-Chloro-5 pound not6 pound not7 pound not8-tetrahydro-1 pound not6-naphthyridine hydrochloride

Chemical Property of 2-Chloro-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride

Chemical Property:

• Boiling Point: 284.822 °C at 760 mmHg
• Flash Point: 126.056 °C
• PSA: 24.92000
• Density: 1.227 g/cm³
• LogP: 2.51150
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 204.0221037
• Heavy Atom Count: 12
• Complexity: 140

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-5- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC2=C1N=C(C=C2)Cl.Cl

Technology Process of 2-Chloro-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride

There total 4 articles about 2-Chloro-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride 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: 93.5%

6-benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine (210539-04-1) → 2-chloro-5,6,7,8-tetrahydro[1,6]naphthyridine hydrochloride (766545-20-4)

Guidance literature:

6-benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine; With carbonochloridic acid 1-chloro-ethyl ester; In 1,2-dichloro-ethane; at 15 - 85 ℃; for 12h; Inert atmosphere;

With methanol; at 80 ℃; for 2h; Time;

Reference yield:

6-benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine (210539-04-1) + carbonochloridic acid 1-chloro-ethyl ester (50893-53-3) → 2-chloro-5,6,7,8-tetrahydro[1,6]naphthyridine hydrochloride (766545-20-4)

Guidance literature:

In 1,2-dichloro-ethane; at 85 ℃; for 36h;

Reference yield:

1,6-naphthyridin-2(1H)-one (23616-29-7) → 2-chloro-5,6,7,8-tetrahydro[1,6]naphthyridine hydrochloride (766545-20-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: acetonitrile / 2 h / 80 °C

1.2: 48 h / 20 °C

2.1: trichlorophosphate / 12 h / 100 °C

3.1: 1,2-dichloro-ethane / 36 h / 85 °C

With trichlorophosphate; In 1,2-dichloro-ethane; acetonitrile;

upstream raw materials:

6-benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine

carbonochloridic acid 1-chloro-ethyl ester

1,6-naphthyridin-2(1H)-one

6-benzyl-5,6,7,8-tetrahydro-[1,6]-naphthyridin-2(1H)-one

Downstream raw materials:

2-chloro-7,8-dihydro-5H-[1,6]naphthyridine-6-carboxylic acid tert-butyl ester

9-((1r,4r)-4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-9H-pyrido[4′,3′:4,5]pyrrolo[2,3-d]pyrimidin-2-amine

tert-butyl 2-((9-((1r,4r)-4-methylcyclohexyl)-9H-pyrido[4′,3′:4,5]pyrrolo[2,3-d]pyrimidin-2-yl)amino)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate

2-[2-({9-[(1r,4r)-4-methylcyclohexyl]-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-y}amino)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]ethanol