4-((1S,2S)-2-(4-Cyclobutylpiperazine-1-carbonyl)cyclopropyl)benzamide

Base Information

Chemical Name:4-((1S,2S)-2-(4-Cyclobutylpiperazine-1-carbonyl)cyclopropyl)benzamide
CAS No.:1119807-02-1
Molecular Formula:C₁₉H₂₅N₃O₂
Molecular Weight:327.426
Hs Code.:
European Community (EC) Number:938-211-3
UNII:6553U4VG91
Wikidata:Q27263828

Synonyms:AZD-5213;6553U4VG91;UNII-6553U4VG91;AZD5213;1119807-02-1;4-((1S,2S)-2-(4-Cyclobutylpiperazine-1-carbonyl)cyclopropyl)benzamide;4-[(1s,2s)-2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzamide;SCHEMBL2325587;AZD 5213 [WHO-DD];HY-129250;CS-0104400;Q27263828

Suppliers and Price of 4-((1S,2S)-2-(4-Cyclobutylpiperazine-1-carbonyl)cyclopropyl)benzamide

Supply Marketing:

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

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of 4-((1S,2S)-2-(4-Cyclobutylpiperazine-1-carbonyl)cyclopropyl)benzamide

Chemical Property:

XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:327.19467705
Heavy Atom Count:24
Complexity:489

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC(C1)N2CCN(CC2)C(=O)C3CC3C4=CC=C(C=C4)C(=O)N
Isomeric SMILES:C1CC(C1)N2CCN(CC2)C(=O)[C@H]3C[C@@H]3C4=CC=C(C=C4)C(=O)N
Recent ClinicalTrials:A Study of the Safety and Tolerability of AZD5213 Effect on Sleep for Patients With Alzheimer's/Cognitive Impairment

Technology Process of 4-((1S,2S)-2-(4-Cyclobutylpiperazine-1-carbonyl)cyclopropyl)benzamide

There total 7 articles about 4-((1S,2S)-2-(4-Cyclobutylpiperazine-1-carbonyl)cyclopropyl)benzamide 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: 85.0%

: 1-cyclobutyl-piperazine dihydrochloride

: 1241093-84-4
(1S, 2S)-2-(4-Carbamoyl-phenyl)-cyclopropanecarboxylic acid

: 1119807-02-1
AZD₅₂₁₃

Guidance literature:: 1-cyclobutyl-piperazine dihydrochloride; (1S, 2S)-2-(4-Carbamoyl-phenyl)-cyclopropanecarboxylic acid; With 4-methyl-morpholine; In dimethyl sulfoxide; at 22 ℃; for 0.0833333h;

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dimethyl sulfoxide; at 22 ℃; for 2.16667h;

With triethylamine; In dimethyl sulfoxide; pH=8;

Reference yield:

: 4209-02-3
1-(4-bromophenyl)-2-chloroethan-1-one

: 1119807-02-1
AZD₅₂₁₃

Guidance literature:: Multi-step reaction with 7 steps

1.1: dimethylsulfide borane complex; (3aR)-1-methyl-3,3-diphenyl-tetrahydro-pyrrolo[1,2-c][1,3,2]oxazaborole / toluene; 2-methyltetrahydrofuran / 4 h / 40 - 45 °C

1.2: 1 h / 10 °C

2.1: sodium hydroxide; methyl tributylammonium chloride / water; 2-methyltetrahydrofuran / 2.33 h / 20 °C

3.1: n-hexyllithium / hexane; 2-methyltetrahydrofuran / 0 - 10 °C

3.2: 16 h / 65 - 75 °C

4.1: sodium hydroxide; water / hexane; 2-methyltetrahydrofuran / 2.33 h / 20 - 60 °C

4.2: pH < 3.5

5.1: zinc / bis(tri-t-butylphosphine)palladium⁽⁰⁾ / N,N-dimethyl-formamide / 20 - 75 °C / 75.01 - 150.01 Torr / Inert atmosphere

5.2: 45 - 75 °C / Inert atmosphere

6.1: sodium hydroxide; dihydrogen peroxide / water / 35 °C / pH > 12

6.2: pH < 3.7

7.1: 4-methyl-morpholine / dimethyl sulfoxide / 0.08 h / 22 °C

7.2: 2.17 h / 22 °C

7.3: pH 8

With 4-methyl-morpholine; dimethylsulfide borane complex; water; dihydrogen peroxide; n-hexyllithium; methyl tributylammonium chloride; sodium hydroxide; zinc; (3aR)-1-methyl-3,3-diphenyl-tetrahydro-pyrrolo[1,2-c][1,3,2]oxazaborole; bis(tri-t-butylphosphine)palladium⁽⁰⁾; In 2-methyltetrahydrofuran; hexane; water; dimethyl sulfoxide; N,N-dimethyl-formamide; toluene;

Reference yield:

: 1123620-89-2,2137065-16-6
(1S,2S)-2-(4-bromophenyl)cyclopropanecarboxylic acid

: 1119807-02-1
AZD₅₂₁₃

Guidance literature:: Multi-step reaction with 3 steps

1.1: zinc / bis(tri-t-butylphosphine)palladium⁽⁰⁾ / N,N-dimethyl-formamide / 20 - 75 °C / 75.01 - 150.01 Torr / Inert atmosphere

1.2: 45 - 75 °C / Inert atmosphere

2.1: sodium hydroxide; dihydrogen peroxide / water / 35 °C / pH > 12

2.2: pH < 3.7

3.1: 4-methyl-morpholine / dimethyl sulfoxide / 0.08 h / 22 °C

3.2: 2.17 h / 22 °C

3.3: pH 8

With 4-methyl-morpholine; dihydrogen peroxide; sodium hydroxide; zinc; bis(tri-t-butylphosphine)palladium⁽⁰⁾; In water; dimethyl sulfoxide; N,N-dimethyl-formamide;