5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidine dihydrochloride

Base Information

• Chemical Name: 5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidine dihydrochloride
• CAS No.: 157327-49-6
• Molecular Formula: C₇H₉N₃*2ClH
• Molecular Weight: 208.09
• Hs Code.: 2933990090
• European Community (EC) Number: 806-244-1
• Mol file: 157327-49-6.mol

Synonyms:157327-49-6;5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidine dihydrochloride;5H,6H,7H,8H-pyrido[4,3-d]pyrimidine dihydrochloride;5,6,7,8-Tetrahydro-pyrido[4,3-d]pyrimidine dihydrochloride;MFCD09999161;5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidine DiHCl;Pyrido[4,3-d]pyrimidine, 5,6,7,8-tetrahydro-, hydrochloride (1:2);5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;dihydrochloride;5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidinedihydrochloride;AKOS015919474;CS-W003720;DS-0354;PB13144;SY025899;DB-012903;EN300-239554;J-516502;F2167-0212;5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE 2HCL;5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidine dihydrochloride, 97%

Chemical Property of 5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidine dihydrochloride

Chemical Property:

• Melting Point: 206-211°C (decomposition)
• Boiling Point: 307.6 °C at 760 mmHg
• Flash Point: 139.9 °C
• PSA: 37.81000
• LogP: 0.45110
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 207.0330028
• Heavy Atom Count: 12
• Complexity: 115

Purity/Quality:

98%,99%, ^*data from raw suppliers

5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidine dihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC2=CN=CN=C21.Cl.Cl

Technology Process of 5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidine dihydrochloride

There total 3 articles about 5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidine dihydrochloride 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: 81.0%

→ 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine hydrochloride (157327-49-6,210538-68-4)

Guidance literature:

Reference yield: 20.0%

t-butyl-3-[(dimethylamino)methylidene]-4-oxopiperidine-1-carboxylate (157327-41-8,1202645-17-7) + formamidine acetic acid (3473-63-0) → 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine dihydrochloride (157327-49-6,210538-68-4)

Guidance literature:

t-butyl-3-[(dimethylamino)methylidene]-4-oxopiperidine-1-carboxylate; formamidine acetic acid; In ethanol; for 36h; Heating;

In trifluoroacetic acid; at 20 ℃; for 1h;

With hydrogenchloride; In isopropyl alcohol;

DOI:10.3987/COM-01-S(K)25

Reference yield:

N-tert-butyloxycarbonylpiperidin-4-one (79099-07-3) → 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine dihydrochloride (157327-49-6,210538-68-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 71 percent / 1 h / Heating

2.1: ethanol / 36 h / Heating

2.2: trifluoroacetic acid / 1 h / 20 °C

2.3: 20 percent / conc. HCl / propan-2-ol

In ethanol;

DOI:10.3987/COM-01-S(K)25

upstream raw materials:

t-butyl-3-[(dimethylamino)methylidene]-4-oxopiperidine-1-carboxylate

formamidine acetic acid

N-tert-butyloxycarbonylpiperidin-4-one

Refernces

• 1、 -. "Quinoline and quinazoline compounds useful in therapy, particularly in the treatment of benign prostatic hyperplasia". . . Retrieved 2008/06/13.