4-(4-chloro-1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3-oxo-piperazine-1-carboxylic acid benzyl ester

Base Information

Chemical Name:4-(4-chloro-1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3-oxo-piperazine-1-carboxylic acid benzyl ester
CAS No.:234108-75-9
Molecular Formula:C20H19ClN4O3
Molecular Weight:398.849
Hs Code.:
DSSTox Substance ID:DTXSID201119331

Synonyms:SCHEMBL4396481;DFNSPWUDKGJXMQ-UHFFFAOYSA-N;DTXSID201119331;234108-75-9;4-(4-chloro-1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3-oxo-piperazine-1-carboxylic acid benzyl ester;4-(4-Chloro-1H-pyrrolo[3.2-c]pyridin-2-ylmethyl)-3-oxo-piperazine-1-carboxylic acid benzyl ester;Phenylmethyl 4-[(4-chloro-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]-3-oxo-1-piperazinecarboxylate

Suppliers and Price of 4-(4-chloro-1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3-oxo-piperazine-1-carboxylic acid benzyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4-(4-chloro-1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3-oxo-piperazine-1-carboxylic acid benzyl ester

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:398.1145682
Heavy Atom Count:28
Complexity:572

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CN(C(=O)CN1C(=O)OCC2=CC=CC=C2)CC3=CC4=C(N3)C=CN=C4Cl

Technology Process of 4-(4-chloro-1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3-oxo-piperazine-1-carboxylic acid benzyl ester

There total 4 articles about 4-(4-chloro-1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3-oxo-piperazine-1-carboxylic acid benzyl ester 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:

: 618359-57-2
2-(4-benzyloxycarbonyl-2-oxopiperazin-1-ylmethyl)-4-chloro-pyrrolo[3,2-c]pyridin-1-carboxylic acid tert-butyl ester

: 234108-75-9
4-(4-chloro-1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3-oxo-piperazine-1-carboxylic acid tert-butyl ester

Guidance literature:: With trifluoroacetic acid; In dichloromethane;
DOI:10.1021/jm020384z

Reference yield:

: 4-[3-(4-tert-butoxycarbonylamino-2-chloro-pyridin-3-yl)-prop-2-ynyl]-3-oxo-piperazine-1-carboxylic acid benzyl ester

: 234108-75-9
4-(4-chloro-1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3-oxo-piperazine-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: DBU / dimethylformamide / 0.5 h / 50 °C

2: 3.81 g / trifluoroacetic acid / CH₂Cl₂

With 1,8-diazabicyclo[5.4.0]undec-7-ene; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm020384z

Reference yield:

: 78818-15-2
4-benzyloxycarbonylpiperazin-2-one

: 234108-75-9
4-(4-chloro-1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3-oxo-piperazine-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 4 steps

1.1: sodium hydride / tetrahydrofuran; dimethylformamide / 0.08 h / 0 °C

1.2: 100 percent / tetrahydrofuran; dimethylformamide / 2 h / 20 °C

2.1: Pd(PPh₃)2Cl₂; CuI; triethylamine / dimethylformamide

3.1: DBU / dimethylformamide / 0.5 h / 50 °C

4.1: 3.81 g / trifluoroacetic acid / CH₂Cl₂

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; sodium hydride; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm020384z