1-Butanone, 1-(5-((3R)-3-amino-4-hydroxy-3-methylbutyl)-1-methyl-1H-pyrrol-2-yl)-4-(4-methylphenyl)-

Base Information

Chemical Name:1-Butanone, 1-(5-((3R)-3-amino-4-hydroxy-3-methylbutyl)-1-methyl-1H-pyrrol-2-yl)-4-(4-methylphenyl)-
CAS No.:827344-05-8
Molecular Formula:C21H30N2O2
Molecular Weight:342.481
Hs Code.:
UNII:KCH74QG79A
ChEMBL ID:CHEMBL1951587
Nikkaji Number:J3.305.092E
Wikidata:Q27282183

Synonyms:CS 0777;CS-0777;CS0777

Suppliers and Price of 1-Butanone, 1-(5-((3R)-3-amino-4-hydroxy-3-methylbutyl)-1-methyl-1H-pyrrol-2-yl)-4-(4-methylphenyl)-

Supply Marketing:

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

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Chemical Property of 1-Butanone, 1-(5-((3R)-3-amino-4-hydroxy-3-methylbutyl)-1-methyl-1H-pyrrol-2-yl)-4-(4-methylphenyl)-

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:9
Exact Mass:342.230728204
Heavy Atom Count:25
Complexity:420

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)CCCC(=O)C2=CC=C(N2C)CCC(C)(CO)N
Isomeric SMILES:CC1=CC=C(C=C1)CCCC(=O)C2=CC=C(N2C)CC[C@](C)(CO)N
Recent ClinicalTrials:12-week Safety Evaluation of Oral CS-0777 in Multiple Sclerosis Patients

Technology Process of 1-Butanone, 1-(5-((3R)-3-amino-4-hydroxy-3-methylbutyl)-1-methyl-1H-pyrrol-2-yl)-4-(4-methylphenyl)-

There total 7 articles about 1-Butanone, 1-(5-((3R)-3-amino-4-hydroxy-3-methylbutyl)-1-methyl-1H-pyrrol-2-yl)-4-(4-methylphenyl)- 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: 86.2%

: 1378964-52-3
(4R)-4-methyl-4-(2-{1-methyl-5-[4-(4-methylphenyl)butanoyl]-1H-pyrrol-2-yl}ethyl)-1,3-oxazolidin-2-one

: 827344-05-8
CS-0777

Guidance literature:: With water; sodium hydroxide; In butan-1-ol; for 5h; Reflux;

Reference yield: 83.0%

: 827344-06-9
(2R)-1-acetoxy-2-acetylamino-2-methyl-4-{1-methyl-5-[4-(4-methylphenyl)-1-(4-(4-methylphenyl)butanoyloxy)but-1-enyl]pyrrol-2-yl}butane

: 827344-05-8
CS-0777

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; methanol; water;
DOI:10.1021/ml100301k

Reference yield:

: methyl (2R,4R)-2-t-butyl-4-methyl-4-(2-{1-methyl-5-[4-(4-methylphenyl)butanoyl]-1H-pyrrol-2-yl}ethyl)-1,3-oxazolidine-3-carboxylate

: 827344-05-8
CS-0777

Guidance literature:: methyl (2R,4R)-2-t-butyl-4-methyl-4-(2-{1-methyl-5-[4-(4-methylphenyl)butanoyl]-1H-pyrrol-2-yl}ethyl)-1,3-oxazolidine-3-carboxylate; With hydrogenchloride; In methanol; water; at 45 ℃; for 3h;

With sodium hydroxide; In propan-1-ol; water; for 7h; Reflux;