RG6V2LL3J2

Base Information

• Chemical Name: RG6V2LL3J2
• CAS No.: 173842-04-1
• Molecular Formula: C₂₃H₂₄ClN₃O₅S
• Molecular Weight: 489.98
• UNII: RG6V2LL3J2
• Pharos Ligand ID: M4MRUC3LSA3W
• ChEMBL ID: CHEMBL313990

Synonyms:RG6V2LL3J2;CHEMBL313990;L017608;L-017608;L-757464;173842-04-1;2(3H)-Benzoxazolone, 3-(1-(4-(5-chloro-1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)butyl)-4-piperidinyl)-;3-(1-(4-(5-Chloro-1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)butyl)-4-piperidinyl)-2(3H)-benzoxazolone;5-Chloro-2-(4-(4-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)piperidin-1-yl)butyl)-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione;UNII-RG6V2LL3J2;SCHEMBL8674332;BDBM50071647;3-{1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-yl)-butyl]-piperidin-4-yl}-3H-benzooxazol-2-one

Chemical Property of RG6V2LL3J2

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 489.1125197
• Heavy Atom Count: 33
• Complexity: 857

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCC1N2C3=CC=CC=C3OC2=O)CCCCN4C(=O)C5=C(S4(=O)=O)C=CC(=C5)Cl

Technology Process of RG6V2LL3J2

There total 7 articles about RG6V2LL3J2 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:

4-[2(3H)-oxobenzoxazol-3-yl]piperidine (215878-20-9) + 2-(4-bromobutyl)-5-chloro-1,2-benzisothiazole-3(2H)-one-1,1-dioxide (95847-42-0) → 5-Chloro-1,1-dioxido-2-(4-(4-(2-oxo-3-benzoxazolinyl)-piperidin-1-yl)-butyl)-1,2-benzisothiazol-3(2H)-one (173842-04-1)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1016/S0960-894X(98)00446-6

Reference yield:

1,1-dioxido-2-(4-(4-(2-oxo-3-benzoxazolinyl)-piperidin-1-yl)-butyl)-1,2-benzisothiazol-3(2H)-one (173841-93-5) → 5-Chloro-1,1-dioxido-2-(4-(4-(2-oxo-3-benzoxazolinyl)-piperidin-1-yl)-butyl)-1,2-benzisothiazol-3(2H)-one (173842-04-1)

Guidance literature:

Reference yield:

N-tert-butyloxycarbonylpiperidin-4-one (79099-07-3) → 5-Chloro-1,1-dioxido-2-(4-(4-(2-oxo-3-benzoxazolinyl)-piperidin-1-yl)-butyl)-1,2-benzisothiazol-3(2H)-one (173842-04-1)

Guidance literature:

Multi-step reaction with 4 steps

1: NaBH(OAc)3

3: HCl

4: Et₃N / dimethylformamide / 80 °C

With hydrogenchloride; sodium tris(acetoxy)borohydride; triethylamine; In N,N-dimethyl-formamide;

DOI:10.1016/S0960-894X(98)00446-6

upstream raw materials:

4-[2(3H)-oxobenzoxazol-3-yl]piperidine

2-(4-bromobutyl)-5-chloro-1,2-benzisothiazole-3(2H)-one-1,1-dioxide

N-tert-butyloxycarbonylpiperidin-4-one

2-amino-phenol

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