Benzoic acid, 2-hydroxy-6-methyl-, (3-((3-acetylphenyl)amino)-4-amino-5-(((dimethylamino)carbonyl)amino)-1,2-dihydroxy-5-(1-hydroxyethyl)-2-methylcyclopentyl)methyl ester

Base Information

Chemical Name:Benzoic acid, 2-hydroxy-6-methyl-, (3-((3-acetylphenyl)amino)-4-amino-5-(((dimethylamino)carbonyl)amino)-1,2-dihydroxy-5-(1-hydroxyethyl)-2-methylcyclopentyl)methyl ester
CAS No.:1405-46-5
Molecular Formula:C₂₈H₃₈N₄O₈
Molecular Weight:558.632
Hs Code.:
DSSTox Substance ID:DTXSID50930863

Benzoic acid, 2-hydroxy-6-methyl-, (3-((3-acetylphenyl)amino)-4-amino-5-(((dimethylamino)carbonyl)amino)-1,2-dihydroxy-5-(1-hydroxyethyl)-2-methylcyclopentyl)methyl ester

Synonyms:Upjohn culture 135bt;C28H38N4O8;SK 27773;U 15800;U-15800;DTXSID50930863;2,6-Cresotic acid, monoester with 3-(4-(m-acetylanilino)-5-amino-2,3-dihydroxy-1-(1-hydroxyethyl)-2-(hydroxymethyl)-3-methylcyclopentyl)-1,1-dimethylurea(VAN);Benzoic acid, 2-hydroxy-6-methyl-, (3-((3-acetylphenyl)amino)-4-amino-5-(((dimethylamino)carbonyl)amino)-1,2-dihydroxy-5-(1-hydroxyethyl)-2-methylcyclopentyl)methyl ester;Benzoic acid, 2-hydroxy-6-methyl-, (5-((3-acetylphenyl)amino)-4-amino-3-(((dimethylamino)carbonyl)amino)-1,2-dihydroxy-3-(1-hydroxyethyl)-2-methylcyclopentyl)methyl ester, (1S-(1alpha,2beta,3alpha,3(R*),4alpha,5beta))-;LS-101147;1405-46-5;N'-[4-(3-Acetylanilino)-5-amino-2,3-dihydroxy-1-(1-hydroxyethyl)-3-{[(2-hydroxy-6-methylbenzoyl)oxy]methyl}-2-methylcyclopentyl]-N,N-dimethylcarbamimidic acid

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Supply Marketing:

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

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Chemical Property of Benzoic acid, 2-hydroxy-6-methyl-, (3-((3-acetylphenyl)amino)-4-amino-5-(((dimethylamino)carbonyl)amino)-1,2-dihydroxy-5-(1-hydroxyethyl)-2-methylcyclopentyl)methyl ester

Chemical Property:

Vapor Pressure:6.66E-26mmHg at 25°C
Boiling Point:784.2°C at 760 mmHg
Flash Point:428.1°C
Density:1.38g/cm³
XLogP3:0.9
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:558.26896418
Heavy Atom Count:40
Complexity:951

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=CC=C1)O)C(=O)OCC2(C(C(C(C2(C)O)(C(C)O)NC(=O)N(C)C)N)NC3=CC=CC(=C3)C(=O)C)O
Isomeric SMILES:CC1=C(C(=CC=C1)O)C(=O)OCC2([C@H](C([C@](C2(C)O)([C@H](C)O)NC(=O)N(C)C)N)NC3=CC=CC(=C3)C(=O)C)O

Technology Process of Benzoic acid, 2-hydroxy-6-methyl-, (3-((3-acetylphenyl)amino)-4-amino-5-(((dimethylamino)carbonyl)amino)-1,2-dihydroxy-5-(1-hydroxyethyl)-2-methylcyclopentyl)methyl ester

There total 65 articles about Benzoic acid, 2-hydroxy-6-methyl-, (3-((3-acetylphenyl)amino)-4-amino-5-(((dimethylamino)carbonyl)amino)-1,2-dihydroxy-5-(1-hydroxyethyl)-2-methylcyclopentyl)methyl ester 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: 89.0%

: 1295471-34-9
C₂₈H₃₆N₆O₈

: 23668-11-3,1405-46-5
pactamycin

Guidance literature:: With ammonium chloride; zinc; In ethanol; water; at 20 ℃;
DOI:10.1021/jo301638z

Reference yield: 82.0%

: 1449329-25-2
((1S,2R,3R,4S,5S)-5-((3-acetylphenyl)amino)-4-(((benzyloxy)carbonyl)amino)-3-(3,3-dimethylureido)-1,2-dihydroxy-3-((S)-1-hydroxyethyl)-2-methylcyclopentyl)methyl 2-hydroxy-6-methylbenzoate

: 23668-11-3,1405-46-5
pactamycin

Guidance literature:: With methanol; 20% palladium hydroxide-activated charcoal; hydrogen; for 0.333333h; Sealed tube;

Reference yield:

: 1449329-22-9
benzyl ((1R,2R,3R,4R,5R)-3-((S)-1-((tert-butyldimethylsilyl)oxy)ethyl)-5-(((tert-butyldiphenylsilyl)oxy)methyl)-3-(3,3-dimethylureido)-4-hydroxy-4-methyl-6-oxabicyclo[3.1.0]hexan-2-yl)carbamate

: 23668-11-3,1405-46-5
pactamycin

Guidance literature:: Multi-step reaction with 4 steps

1: scandium tris(trifluoromethanesulfonate) / toluene / 60 °C

2: tetrabutyl ammonium fluoride / tetrahydrofuran / 0 °C

3: potassium carbonate / N,N-dimethyl acetamide

4: 10 wt% Pd(OH)2 on carbon; hydrogen / methanol / 760.05 Torr

With 10 wt% Pd(OH)2 on carbon; tetrabutyl ammonium fluoride; hydrogen; potassium carbonate; scandium tris(trifluoromethanesulfonate); In tetrahydrofuran; methanol; N,N-dimethyl acetamide; toluene;
DOI:10.1126/science.1234756