L-Arginine, 5-chloro-2-(2-((2R,5S)-4-((4-fluorophenyl)methyl)-2,5-dimethyl-1-piperazinyl)-2-oxoethoxy)benzenemethanesulfonate (1:1)

Base Information

Chemical Name:L-Arginine, 5-chloro-2-(2-((2R,5S)-4-((4-fluorophenyl)methyl)-2,5-dimethyl-1-piperazinyl)-2-oxoethoxy)benzenemethanesulfonate (1:1)
CAS No.:813446-39-8
Molecular Formula:C₆H₁₄N₄O₂*C₂₂H₂₆ClFN₂O₅S
Molecular Weight:659.179
Hs Code.:
UNII:HVU9ALU1GL

Synonyms:HVU9ALU1GL;CP-865569 arginine;UNII-HVU9ALU1GL;813446-39-8;L-Arginine, 5-chloro-2-(2-((2R,5S)-4-((4-fluorophenyl)methyl)-2,5-dimethyl-1-piperazinyl)-2-oxoethoxy)benzenemethanesulfonate (1:1);SCHEMBL6462964

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

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Chemical Property of L-Arginine, 5-chloro-2-(2-((2R,5S)-4-((4-fluorophenyl)methyl)-2,5-dimethyl-1-piperazinyl)-2-oxoethoxy)benzenemethanesulfonate (1:1)

Chemical Property:

Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:12
Exact Mass:658.2351747
Heavy Atom Count:44
Complexity:905

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1CN(C(CN1C(=O)COC2=C(C=C(C=C2)Cl)CS(=O)(=O)O)C)CC3=CC=C(C=C3)F.C(CC(C(=O)O)N)CN=C(N)N
Isomeric SMILES:C[C@@H]1CN([C@H](CN1C(=O)COC2=C(C=C(C=C2)Cl)CS(=O)(=O)O)C)CC3=CC=C(C=C3)F.C(C[C@@H](C(=O)O)N)CN=C(N)N

Technology Process of L-Arginine, 5-chloro-2-(2-((2R,5S)-4-((4-fluorophenyl)methyl)-2,5-dimethyl-1-piperazinyl)-2-oxoethoxy)benzenemethanesulfonate (1:1)

There total 10 articles about L-Arginine, 5-chloro-2-(2-((2R,5S)-4-((4-fluorophenyl)methyl)-2,5-dimethyl-1-piperazinyl)-2-oxoethoxy)benzenemethanesulfonate (1:1) 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: 90.0%

: 478833-25-9
(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenyl)methanesulfonic acid

: 74-79-3,25212-18-4
L-arginine

: 813446-39-8
(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenyl)methanesulfonic acid L-arginine cocrystal

Guidance literature:: In methanol; water; at 45 ℃;

Reference yield:

: C₄H₆O₆*C₁₃H₁₉FN₂

: 813446-39-8
(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenyl)methanesulfonic acid L-arginine cocrystal

Guidance literature:: Multi-step reaction with 7 steps

1.1: sodium hydroxide / water; 2-methyltetrahydrofuran / 0.92 h / 20 - 25 °C / Inert atmosphere

2.1: potassium carbonate; potassium iodide / 10 h / 66 - 70 °C / Inert atmosphere

3.1: sodium tetrahydroborate / methanol; 2-methyltetrahydrofuran / 0.5 h / 20 - 30 °C / Inert atmosphere

4.1: 2-methyltetrahydrofuran; ethyl acetate / Inert atmosphere

4.2: 2 h / 20 - 25 °C / Inert atmosphere

5.1: ethyl acetate; toluene / 8 h / 20 - 50 °C / Inert atmosphere

6.1: formic acid; (R)-thioacetate; dihydrogen peroxide / water / 4 h / 20 °C / Inert atmosphere

7.1: water; propan-1-ol / 2 h / 20 - 25 °C / Inert atmosphere

With sodium tetrahydroborate; formic acid; (R)-thioacetate; dihydrogen peroxide; potassium carbonate; potassium iodide; sodium hydroxide; In 2-methyltetrahydrofuran; methanol; propan-1-ol; water; ethyl acetate; toluene;
DOI:10.1021/op7000386

Reference yield:

: 217645-80-2
5-chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-benzaldehyde

: 813446-39-8
(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenyl)methanesulfonic acid L-arginine cocrystal

Guidance literature:: Multi-step reaction with 5 steps

1.1: sodium tetrahydroborate / methanol; 2-methyltetrahydrofuran / 0.5 h / 20 - 30 °C / Inert atmosphere

2.1: 2-methyltetrahydrofuran; ethyl acetate / Inert atmosphere

2.2: 2 h / 20 - 25 °C / Inert atmosphere

3.1: ethyl acetate; toluene / 8 h / 20 - 50 °C / Inert atmosphere

4.1: formic acid; (R)-thioacetate; dihydrogen peroxide / water / 4 h / 20 °C / Inert atmosphere

5.1: water; propan-1-ol / 2 h / 20 - 25 °C / Inert atmosphere

With sodium tetrahydroborate; formic acid; (R)-thioacetate; dihydrogen peroxide; In 2-methyltetrahydrofuran; methanol; propan-1-ol; water; ethyl acetate; toluene;
DOI:10.1021/op7000386