2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine HCl salt

Base Information

• Chemical Name: 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine HCl salt
• CAS No.: 1000578-08-4
• Molecular Formula: C7H7Cl2N3
• Molecular Weight: 204.06
• Hs Code.: 2933990090
• Mol file: 1000578-08-4.mol

Synonyms:2,4-Dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

Chemical Property of 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine HCl salt

Chemical Property:

• Boiling Point: 353.978 °C at 760 mmHg
• PKA: 5.88±0.20(Predicted)
• Flash Point: 167.88 °C
• PSA: 37.81000
• Density: 1.431 g/cm³
• LogP: 1.75790
• Storage Temp.: 2-8°C
• Solubility.: Methanol (Slightly), Water (Slightly)

Purity/Quality:

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

2,4-Dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine HCl salt

There total 4 articles about 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine HCl salt 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: 97.0%

7-benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (1059735-34-0) → 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (1000578-08-4)

Guidance literature:

With carbonochloridic acid 1-chloro-ethyl ester; In 1,2-dichloro-ethane; at 0 - 20 ℃; for 16.25h;

Reference yield:

ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate (39514-19-7) → 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (1000578-08-4)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium methylate / methanol / 96 h / 0 - 60 °C / Inert atmosphere

2: trichlorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 2 h / 0 - 130 °C

3: carbonochloridic acid 1-chloro-ethyl ester / 1,2-dichloro-ethane / 16.25 h / 0 - 20 °C

With carbonochloridic acid 1-chloro-ethyl ester; sodium methylate; N-ethyl-N,N-diisopropylamine; trichlorophosphate; In methanol; 1,2-dichloro-ethane; N,N-dimethyl-formamide;

Reference yield:

7-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione (62459-02-3) → 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (1000578-08-4)

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 2 h / 0 - 130 °C

2: carbonochloridic acid 1-chloro-ethyl ester / 1,2-dichloro-ethane / 16.25 h / 0 - 20 °C

With carbonochloridic acid 1-chloro-ethyl ester; N-ethyl-N,N-diisopropylamine; trichlorophosphate; In 1,2-dichloro-ethane; N,N-dimethyl-formamide;

upstream raw materials:

ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate

7-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione

7-benzyl-2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid tert-butyl ester

Downstream raw materials:

2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid tert-butyl ester

C₁₉H₂₃ClN₄O₂

C₂₈H₃₁N₅O₂

N-benzyl-2-(2-methyl-1H-indol-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

Refernces

• 1、 Dexheimer, Thomas S.,Rosenthal, Andrew S.,Luci, Diane K.,Liang, Qin,Villamil, Mark A.,Chen, Junjun,Sun, Hongmao,Kerns, Edward H.,Simeonov, Anton,Jadhav, Ajit,Zhuang, Zhihao,Maloney, David J.. "Synthesis and structure-activity relationship studies of N -benzyl-2-phenylpyrimidin-4-amine derivatives as potent usp1/uaf1 deubiquitinase inhibitors with anticancer activity against nonsmall cell lung cancer". supporting information. p. 8099 - 8110. Retrieved 2014/12/10.