N-[[(1R,2S,10R,13S)-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]-2-oxopropanamide

Base Information

Chemical Name:N-[[(1R,2S,10R,13S)-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]-2-oxopropanamide
CAS No.:66082-28-8
Molecular Formula:C28H31N3O8
Molecular Weight:537.561
Hs Code.:
Nikkaji Number:J47.926H

N-[[(1R,2S,10R,13S)-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]-2-oxopropanamide

Synonyms:C28H31N3O8;C28-H31-N3-O8;SCHEMBL1600755

Suppliers and Price of N-[[(1R,2S,10R,13S)-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]-2-oxopropanamide

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
Packaging
price

American Custom Chemicals Corporation
SAFRAMYCIN B 95.00%
5MG
$ 498.84

Total 2 raw suppliers

Chemical Property of N-[[(1R,2S,10R,13S)-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]-2-oxopropanamide

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：139.39000
Density:1.41g/cm³
LogP:0.22510
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:537.21111496
Heavy Atom Count:39
Complexity:1400

Purity/Quality:

95% ^*data from raw suppliers

SAFRAMYCIN B 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=O)C2=C(C1=O)CC3CN4C(C2N3C)CC5=C(C4CNC(=O)C(=O)C)C(=O)C(=C(C5=O)C)OC)OC
Isomeric SMILES:CC1=C(C(=O)C2=C(C1=O)C[C@H]3CN4[C@H]([C@@H]2N3C)CC5=C([C@@H]4CNC(=O)C(=O)C)C(=O)C(=C(C5=O)C)OC)OC

Technology Process of N-[[(1R,2S,10R,13S)-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]-2-oxopropanamide

There total 12 articles about N-[[(1R,2S,10R,13S)-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]-2-oxopropanamide 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: 1.5%

: 112446-03-4,112529-60-9,115510-18-4
C₃₂H₄₃N₃O₈

: 112995-92-3
C₂₉H₃₅N₃O₈

: 112446-15-8
C₃₀H₃₇N₃O₈

: 66082-28-8,82660-65-9
(+/-)-saframycin B

Guidance literature:: With nitric acid; at 25 ℃; for 1h;
DOI:10.1248/cpb.35.2158

Reference yield:

: 115792-74-0
(E)-3-benzyl-2-<(2,4,5-trimethoxy-3-methylphenyl)-methylene>-7,9,10-trimethoxy-8,11-dimethyl-1,2,3,4,5,6-hexahydro-1,5-imino-3-benzazocine

: 66082-28-8,82660-65-9
(+/-)-saframycin B

Guidance literature:: Multi-step reaction with 9 steps

1: 99 percent / H₂ / 20 percent Pd/C / ethanol / 24 h / 80 °C / 3040 Torr

2: K₂CO₃ / butan-1-ol / 24 h / 25 °C

3: trifluoroacetic acid / 1 h / 25 °C

4: 1.) mercury acetate; 2.) NaBH₄ / 1.) H₂O, AcOH, 90 deg C, 2 h; 2.) EtOH, 25 deg C, 1 h

5: 77 percent / LiAlH₄ / tetrahydrofuran / 2 h / Heating

6: diethylazodicarboxylate, Ph₃P / tetrahydrofuran / 3 h / 25 °C

7: NH₂NH₂*H₂O / ethanol / 2 h / Heating

8: DMAP, Et₃N / CH₂Cl₂ / 1 h / 25 °C

9: 1.) boron tribromide; 2.) ceric ammonium nitrate / 1.) CH₂Cl₂, -78 deg C, 1 h

With dmap; sodium tetrahydroborate; lithium aluminium tetrahydride; ammonium cerium(IV) nitrate; mercury(II) diacetate; hydrogen; boron tribromide; potassium carbonate; hydrazine hydrate; triethylamine; triphenylphosphine; trifluoroacetic acid; diethylazodicarboxylate; palladium on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane; butan-1-ol;
DOI:10.1248/cpb.35.2158

Reference yield:

: 113531-73-0
(E)-3-benzyl-2-<(2,4,5-trimethoxy-3-methylphenyl)-methylene>-7,9,70-trimethoxy-8,11-dimethyl-1,2,3,4,5,6-hexahydro-1,5-imino-3-benzazocine

: 66082-28-8,82660-65-9
(+/-)-saframycin B

Guidance literature:: Multi-step reaction with 10 steps

1: 93 percent / AlH₃ / tetrahydrofuran / 1 h / 0 °C

2: 99 percent / H₂ / 20 percent Pd/C / ethanol / 24 h / 80 °C / 3040 Torr

3: K₂CO₃ / butan-1-ol / 24 h / 25 °C

4: trifluoroacetic acid / 1 h / 25 °C

5: 1.) mercury acetate; 2.) NaBH₄ / 1.) H₂O, AcOH, 90 deg C, 2 h; 2.) EtOH, 25 deg C, 1 h

6: 77 percent / LiAlH₄ / tetrahydrofuran / 2 h / Heating

7: diethylazodicarboxylate, Ph₃P / tetrahydrofuran / 3 h / 25 °C

8: NH₂NH₂*H₂O / ethanol / 2 h / Heating

9: DMAP, Et₃N / CH₂Cl₂ / 1 h / 25 °C

10: 1.) boron tribromide; 2.) ceric ammonium nitrate / 1.) CH₂Cl₂, -78 deg C, 1 h

With aluminium hydride; dmap; sodium tetrahydroborate; lithium aluminium tetrahydride; ammonium cerium(IV) nitrate; mercury(II) diacetate; hydrogen; boron tribromide; potassium carbonate; hydrazine hydrate; triethylamine; triphenylphosphine; trifluoroacetic acid; diethylazodicarboxylate; palladium on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane; butan-1-ol;
DOI:10.1248/cpb.35.2158