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

Base Information

Chemical Name:1-Butanone, 1-(5-((3R)-3-amino-3-methyl-4-(phosphonooxy)butyl)-1-methyl-1H-pyrrol-2-yl)-4-(4-methylphenyl)-
CAS No.:840523-39-9
Molecular Formula:C21H31N2O5P
Molecular Weight:422.461
Hs Code.:
UNII:30YQ86DS4E
ChEMBL ID:CHEMBL1951588
Wikidata:Q27255990

Synonyms:CS-0777-p;840523-39-9;30YQ86DS4E;CS-0777P;UNII-30YQ86DS4E;CHEMBL1951588;1-Butanone, 1-(5-((3R)-3-amino-3-methyl-4-(phosphonooxy)butyl)-1-methyl-1H-pyrrol-2-yl)-4-(4-methylphenyl)-;[(2R)-2-amino-2-methyl-4-[1-methyl-5-[4-(4-methylphenyl)butanoyl]pyrrol-2-yl]butyl] dihydrogen phosphate;BDBM50363937;AKOS040751328;Q27255990

Suppliers and Price of 1-Butanone, 1-(5-((3R)-3-amino-3-methyl-4-(phosphonooxy)butyl)-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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

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

Chemical Property:

XLogP3:-0.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:422.19705909
Heavy Atom Count:29
Complexity:575

Purity/Quality:: 98% ^*data from raw suppliers

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)(COP(=O)(O)O)N
Isomeric SMILES:CC1=CC=C(C=C1)CCCC(=O)C2=CC=C(N2C)CC[C@](C)(COP(=O)(O)O)N

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

There total 5 articles about 1-Butanone, 1-(5-((3R)-3-amino-3-methyl-4-(phosphonooxy)butyl)-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: 73.0%

: 1278564-26-3
C₃₁H₄₃N₂O₇P

: 840523-39-9
CS-0777-P

Guidance literature:: With pyrrolidine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In acetonitrile;
DOI:10.1021/ml100301k

Reference yield: 73.0%

: 827344-05-8
CS-0777

: 840523-39-9
CS-0777-P

Guidance literature:: With Circinella muscae NBRC 4457;
DOI:10.1021/ml100301k

Reference yield:

: 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

: 840523-39-9
CS-0777-P

Guidance literature:: Multi-step reaction with 5 steps

1: lithium hydroxide / tetrahydrofuran; methanol; water

2: potassium hydrogencarbonate / water; ethyl acetate

3: 1H-tetrazole

4: 3-chloro-benzenecarboperoxoic acid / dichloromethane

5: pyrrolidine; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / acetonitrile

With pyrrolidine; 1H-tetrazole; tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid; lithium hydroxide; In tetrahydrofuran; methanol; dichloromethane; water; ethyl acetate; acetonitrile;
DOI:10.1021/ml100301k