Spiro(pyrrolidine-3,4'(1'H)-pyrrolo(1,2-a)pyrazine)-1',2,3',5(2'H)-tetrone, 2'-((4-bromo-2-fluorophenyl)methyl)-

Base Information

Chemical Name:Spiro(pyrrolidine-3,4'(1'H)-pyrrolo(1,2-a)pyrazine)-1',2,3',5(2'H)-tetrone, 2'-((4-bromo-2-fluorophenyl)methyl)-
CAS No.:147193-59-7
Molecular Formula:C₁₇H₁₁BrFN₃O₄
Molecular Weight:420.194
Hs Code.:
DSSTox Substance ID:DTXSID00869957
ChEMBL ID:CHEMBL132846

Synonyms:2-(4-bromo-2-fluorobenzyl)-1,2,3,4-tetrahydropyrrolo(1,2-a)pyrazine-4-spiro-3'-pyrrolidine-1.2',3,5'-tetrone;AS 3201;AS-3201;ranirestat;SX 3030;SX 3202;SX-3030;SX-3202

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Chemical Property of Spiro(pyrrolidine-3,4'(1'H)-pyrrolo(1,2-a)pyrazine)-1',2,3',5(2'H)-tetrone, 2'-((4-bromo-2-fluorophenyl)methyl)-

Chemical Property:

XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:418.99170
Heavy Atom Count:26
Complexity:689

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C(=O)NC(=O)C12C(=O)N(C(=O)C3=CC=CN23)CC4=C(C=C(C=C4)Br)F

Technology Process of Spiro(pyrrolidine-3,4'(1'H)-pyrrolo(1,2-a)pyrazine)-1',2,3',5(2'H)-tetrone, 2'-((4-bromo-2-fluorophenyl)methyl)-

There total 14 articles about Spiro(pyrrolidine-3,4'(1'H)-pyrrolo(1,2-a)pyrazine)-1',2,3',5(2'H)-tetrone, 2'-((4-bromo-2-fluorophenyl)methyl)- 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: 43.6%

: (4-bromo-2-fluorophenyl)methanamine mono HCl salt

: 156141-95-6
2-ethoxycarbonyl-2-(2-trichloroacetylpyrrol-1-yl)succinimide

: 147193-59-7
AS-3201

Guidance literature:: With triethylamine; In N,N-dimethyl-formamide; for 16h; Ambient temperature;
DOI:10.1021/jm9802968

Reference yield: 40.0%

: 147194-02-3
2-(4-bromo-2-fluorobenzyl)-4-carbamoylmethyl-1,3-dioxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-4-carboxylic acid ethyl ester

: 147193-59-7
AS-3201

Guidance literature:: With sodium hydride; In N,N-dimethyl-formamide; at -20 ℃; for 0.3h;
DOI:10.1021/jm9802968

Reference yield:

: 67451-43-8
2-(pyrrol-1-yl)malonic acid diethyl ester

: 147193-59-7
AS-3201

Guidance literature:: Multi-step reaction with 7 steps

1: 88.1 percent / CHCl₃ / 15 h / Heating

2: 86 percent / Et₃N / dimethylformamide / 15 h / Ambient temperature

3: 1.) NaH / 1.) DMF, RT, 0.5 h, 2.) DMF, RT, 2 h

4: 83.6 percent / TFA / CH₂Cl₂ / 3 h / Heating

5: SOCl₂ / CH₂Cl₂ / 2 h / Heating

6: 25percent aq. NH₃ / ethyl acetate / 1 h / 0 °C

7: 40 percent / NaH / dimethylformamide / 0.3 h / -20 °C

With ammonium hydroxide; thionyl chloride; sodium hydride; triethylamine; trifluoroacetic acid; In dichloromethane; chloroform; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1021/jm9802968