Mauritine A

Base Information

Chemical Name:Mauritine A
CAS No.:38478-72-7
Molecular Formula:C₃₂H₄₁N₅O₅
Molecular Weight:575.708
Hs Code.:
ChEMBL ID:CHEMBL1927951
DSSTox Substance ID:DTXSID701098168
Metabolomics Workbench ID:43784
Nikkaji Number:J870.493G
Wikidata:Q27137507
Mol file:38478-72-7.mol

Synonyms:Mauritine A;CHEBI:69167;CHEMBL1927951;DTXSID701098168;38478-72-7;Q27137507;(2S)-N-[(2S)-1-[(3S,7S,10S,13Z)-10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(dimethylamino)propanamide;Propanamide, 2-(dimethylamino)-N-[(1S)-2-methyl-1-[[(3aS,13S,15aS)-3,3a,11,12,13,14,15,15a-octahydro-12,15-dioxo-13-(phenylmethyl)-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]carbonyl]propyl]-, (2S)-

Suppliers and Price of Mauritine A

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
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Total 0 raw suppliers

Chemical Property of Mauritine A

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:575.31076943
Heavy Atom Count:42
Complexity:986

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(C(=O)N1CCC2C1C(=O)NC(C(=O)NC=CC3=CC=C(O2)C=C3)CC4=CC=CC=C4)NC(=O)C(C)N(C)C
Isomeric SMILES:C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@H]2[C@H]1C(=O)N[C@H](C(=O)N/C=C\C3=CC=C(O2)C=C3)CC4=CC=CC=C4)N(C)C

Technology Process of Mauritine A

There total 22 articles about Mauritine A 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:

: 312583-22-5
(2S,3S)-1-Benzyl-3-hydroxy-pyrrolidine-2-carboxylic acid {(S)-1-[(R)-2-(4-fluoro-3-nitro-phenyl)-2-hydroxy-ethylcarbamoyl]-2-phenyl-ethyl}-amide

: 38478-72-7
mauritine-A

Guidance literature:: Multi-step reaction with 11 steps

1.1: 415 mg / TBAF; 3 Angstroem molecular sieves / dimethylsulfoxide; tetrahydrofuran / 20 h / 60 °C

2.1: H₂ / Pd/C / ethyl acetate; methanol / 2.5 h / 20 °C

3.1: aq. H₃PO₂; NaNO₂; Cu₂O / SnCl₂ / tetrahydrofuran / 4 h / 0 - 20 °C

4.1: 78 percent / H₂ / Pd/C / methanol / 24 h / 20 °C

5.1: 96 percent / DIEA; HATU / dimethylformamide / 17 h / 20 °C

6.1: Et₃N / CH₂Cl₂ / 1 h / -15 °C

7.1: NaBH₄ / ethanol / 0 °C

7.2: ethanol / 2 h / 80 °C

8.1: aq. H₂O₂; pyridine / CH₂Cl₂ / 1 h / 0 °C

9.1: 90.4 mg / CH₂Cl₂ / 4 h / 20 °C

10.1: TFA / CH₂Cl₂ / 1.33 h / 0 - 20 °C

11.1: 40.9 mg / TFADIEA; HATU / dimethylformamide / 2 h / 20 °C

With pyridine; copper(I) oxide; sodium tetrahydroborate; diisopropylethylammonium trifluoroacetate; 3 A molecular sieve; tetrabutyl ammonium fluoride; hydrogen; dihydrogen peroxide; hypophosphorous acid; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; sodium nitrite; palladium on activated charcoal; tin(ll) chloride; In tetrahydrofuran; methanol; ethanol; dichloromethane; dimethyl sulfoxide; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1002/chem.200401070

Reference yield:

: 312583-23-6
(3S,7S,10S,14R)-6,10-Dibenzyl-14-hydroxy-2-oxa-6,9,12-triaza-tricyclo[13.2.2.0^3,7]nonadeca-1⁽¹⁸⁾,15⁽¹⁹⁾,16-triene-8,11-dione

: 38478-72-7
mauritine-A

Guidance literature:: Multi-step reaction with 8 steps

1.1: 78 percent / H₂ / Pd/C / methanol / 24 h / 20 °C

2.1: 96 percent / DIEA; HATU / dimethylformamide / 17 h / 20 °C

3.1: Et₃N / CH₂Cl₂ / 1 h / -15 °C

4.1: NaBH₄ / ethanol / 0 °C

4.2: ethanol / 2 h / 80 °C

5.1: aq. H₂O₂; pyridine / CH₂Cl₂ / 1 h / 0 °C

6.1: 90.4 mg / CH₂Cl₂ / 4 h / 20 °C

7.1: TFA / CH₂Cl₂ / 1.33 h / 0 - 20 °C

8.1: 40.9 mg / TFADIEA; HATU / dimethylformamide / 2 h / 20 °C

With pyridine; sodium tetrahydroborate; diisopropylethylammonium trifluoroacetate; hydrogen; dihydrogen peroxide; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; palladium on activated charcoal; In methanol; ethanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1002/chem.200401070

Reference yield:

: 856165-43-0
{(S)-1-[(R)-2-(4-Fluoro-3-nitro-phenyl)-2-hydroxy-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester

: 38478-72-7
mauritine-A

Guidance literature:: Multi-step reaction with 13 steps

1.1: aq. HCl / acetonitrile / 1 h / 20 °C

2.1: 6.75 g / Et₃N; HOBT; EDCI / dimethylformamide / 17 h / 20 °C

3.1: 415 mg / TBAF; 3 Angstroem molecular sieves / dimethylsulfoxide; tetrahydrofuran / 20 h / 60 °C

4.1: H₂ / Pd/C / ethyl acetate; methanol / 2.5 h / 20 °C

5.1: aq. H₃PO₂; NaNO₂; Cu₂O / SnCl₂ / tetrahydrofuran / 4 h / 0 - 20 °C

6.1: 78 percent / H₂ / Pd/C / methanol / 24 h / 20 °C

7.1: 96 percent / DIEA; HATU / dimethylformamide / 17 h / 20 °C

8.1: Et₃N / CH₂Cl₂ / 1 h / -15 °C

9.1: NaBH₄ / ethanol / 0 °C

9.2: ethanol / 2 h / 80 °C

10.1: aq. H₂O₂; pyridine / CH₂Cl₂ / 1 h / 0 °C

11.1: 90.4 mg / CH₂Cl₂ / 4 h / 20 °C

12.1: TFA / CH₂Cl₂ / 1.33 h / 0 - 20 °C

13.1: 40.9 mg / TFADIEA; HATU / dimethylformamide / 2 h / 20 °C

With pyridine; copper(I) oxide; hydrogenchloride; sodium tetrahydroborate; diisopropylethylammonium trifluoroacetate; 3 A molecular sieve; tetrabutyl ammonium fluoride; hydrogen; dihydrogen peroxide; hypophosphorous acid; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; sodium nitrite; palladium on activated charcoal; tin(ll) chloride; In tetrahydrofuran; methanol; ethanol; dichloromethane; dimethyl sulfoxide; ethyl acetate; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1002/chem.200401070