CID 9822753

Base Information

• Chemical Name: CID 9822753
• CAS No.: 166095-21-2
• Molecular Formula: C₂₂H₂₁ClN₄O₂
• Molecular Weight: 408.887
• UNII: K6V527OYN8
• Nikkaji Number: J805.166F
• ChEMBL ID: CHEMBL11594
• Mol file: 166095-21-2.mol

Synonyms:BMS 191095;BMS-191095;BMS191095

Chemical Property of CID 9822753

Chemical Property:

• PSA: 85.17000
• LogP: 4.21458
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 408.1353036
• Heavy Atom Count: 29
• Complexity: 615

Purity/Quality:

97% ^*data from raw suppliers

BMS-191095 98+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CC3=NC=CN3)C4=CC=C(C=C4)Cl)O)C
• Isomeric SMILES: CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)N(CC3=NC=CN3)C4=CC=C(C=C4)Cl)O)C

Technology Process of CID 9822753

There total 8 articles about CID 9822753 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%

→ BMS-191095 (166095-21-2)

Guidance literature:

Reference yield: 55.0%

(1aR-cis)-1a,7b-dihydro-2,2-dimethyl-2H-oxireno[c][1]benzopyran-6-carbonitrile (65018-90-8,75611-72-2,114926-02-2,114926-03-3) + N-(4-Chlorophenyl)-N-[(1H-imidazol-2-yl)methyl]-amine (166096-16-8) → BMS-191095 (166095-21-2)

Guidance literature:

With CoCl₂; In acetonitrile; at 60 ℃; for 28h;

DOI:10.1021/jm9605905

Reference yield: 51.0%

→ (3R-cis)-4-[4-Chloro-N-(1H-imidazole-2-ylmethyl)phenylamino]-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carbonitrile (166095-21-2)

Guidance literature:

upstream raw materials:

(1aR-cis)-1a,7b-dihydro-2,2-dimethyl-2H-oxireno[c][1]benzopyran-6-carbonitrile

N-(4-Chlorophenyl)-N-[(1H-imidazol-2-yl)methyl]-amine

4-chloro-aniline

6-cyano-2,2-dimethylchromene-3,4-epoxide

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 166095-21-2 BMS 191095

Send

Send

Metric Ton KG G Pound L ML

Send

Send