X63VS6M6TK

Base Information

Chemical Name:X63VS6M6TK
CAS No.:386251-89-4
Molecular Formula:C₃₆H₅₂N₁₀O₄
Molecular Weight:688.873
Hs Code.:
UNII:X63VS6M6TK
Nikkaji Number:J1.706.310C
ChEMBL ID:CHEMBL167922

Synonyms:X63VS6M6TK;GL579225;GL-579225;1,4-Benzenedicarboxamide, N,N'-bis(5-(((3-imino-3-(methylamino)propyl)amino)carbonyl)-1-(3-methylbutyl)-1H-pyrrol-3-yl)-;1,4-Benzenedicarboxamide, N1,N4-bis(5-(((3-imino-3-(methylamino)propyl)amino)carbonyl)-1-(3-methylbutyl)-1H-pyrrol-3-yl)-;386251-89-4;N,N'-Bis-(1-(3-methyl-butyl)-5-(2-(N-methylcarbamimidoyl)-ethylcarbamoyl)-1H-pyrrol-3-yl)-terephthalamide;N1,N4-Bis(1-(3-methylbutyl)-5-((2-((Z)-N'-methylcarbamimidoyl)ethyl)carbamoyl)-1H-pyrrol-3-yl)benzene-1,4-dicarboxamide;UNII-X63VS6M6TK;CHEMBL167922;SCHEMBL5889825;N,N'-Bis[5-[[2-(N-methylamidino)ethyl]carbamoyl]-1-isopentyl-1H-pyrrole-3-yl]terephthalamide

Suppliers and Price of X63VS6M6TK

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of X63VS6M6TK

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:18
Exact Mass:688.41730018
Heavy Atom Count:50
Complexity:1090

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)CCN1C=C(C=C1C(=O)NCCC(=NC)N)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=NC)N)CCC(C)C

Technology Process of X63VS6M6TK

There total 7 articles about X63VS6M6TK 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:

: 67973-88-0
1-(3-methylbutyl)-4-nitro-1H-pyrrole-2-carboxylic acid

: 386251-89-4
N,N'-Bis-{1-(3-methyl-butyl)5-[2-(N-methylcarbamimidoyl)-ethylcarbamoyl)-1H-pyrrol-3-yl]-terephthalamide

Guidance literature:: Multi-step reaction with 6 steps

1: SOCl₂ / 4 h / Heating

2: 3.7 g / toluene / 1 h / 20 °C

3: HCl gas / 20 h / 0 - 5 °C

4: 1.25 g / methanol / 5 °C

5: H₂ / 10percent Pd/C / methanol / 0.5 h / 20 °C / 1292.9 - 1551.49 Torr

6: dimethylformamide / 15 h / 55 °C

With hydrogenchloride; thionyl chloride; hydrogen; 10percent Pd/C; In methanol; N,N-dimethyl-formamide; toluene;
DOI:10.1021/jm010375a

Reference yield:

: 83674-57-1
1-(3-methylbutyl)-4-nitro-1H-pyrrole-2-carboxylic acid chloride

: 386251-89-4
N,N'-Bis-{1-(3-methyl-butyl)5-[2-(N-methylcarbamimidoyl)-ethylcarbamoyl)-1H-pyrrol-3-yl]-terephthalamide

Guidance literature:: Multi-step reaction with 5 steps

1: 3.7 g / toluene / 1 h / 20 °C

2: HCl gas / 20 h / 0 - 5 °C

3: 1.25 g / methanol / 5 °C

4: H₂ / 10percent Pd/C / methanol / 0.5 h / 20 °C / 1292.9 - 1551.49 Torr

5: dimethylformamide / 15 h / 55 °C

With hydrogenchloride; hydrogen; 10percent Pd/C; In methanol; N,N-dimethyl-formamide; toluene;
DOI:10.1021/jm010375a

Reference yield:

: 386252-74-0
1-(3-methylbutyl)-4-nitro-1H-pyrrole-2-carboxylic acid (2-cyanoethyl)amide

: 386251-89-4
N,N'-Bis-{1-(3-methyl-butyl)5-[2-(N-methylcarbamimidoyl)-ethylcarbamoyl)-1H-pyrrol-3-yl]-terephthalamide

Guidance literature:: Multi-step reaction with 4 steps

1: HCl gas / 20 h / 0 - 5 °C

2: 1.25 g / methanol / 5 °C

3: H₂ / 10percent Pd/C / methanol / 0.5 h / 20 °C / 1292.9 - 1551.49 Torr

4: dimethylformamide / 15 h / 55 °C

With hydrogenchloride; hydrogen; 10percent Pd/C; In methanol; N,N-dimethyl-formamide;
DOI:10.1021/jm010375a