Glycocinnasperimicin D

Base Information

• Chemical Name: Glycocinnasperimicin D
• CAS No.: 99260-73-8
• Molecular Formula: C₃₀H₅₀N₁₀O₉
• Molecular Weight: 694.789
• Metabolomics Workbench ID: 98403

Synonyms:glycocinnasperimicin D;glycocinnasperimicin-D

Chemical Property of Glycocinnasperimicin D

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 321.65000
• Density: 1.55g/cm³
• LogP: 1.27600
• XLogP3: -4
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 16
• Exact Mass: 694.37622321
• Heavy Atom Count: 49
• Complexity: 1110

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2=CC=C(C=C2)C=CC(=O)NCCCNCCCCN)N=C(N)N)O)NC(=O)NC3C(C(C(CO3)O)O)NC(=O)N
• Isomeric SMILES: CC1C(C(C(C(O1)OC2=CC=C(C=C2)/C=C/C(=O)NCCCNCCCCN)N=C(N)N)O)NC(=O)NC3C(C(C(CO3)O)O)NC(=O)N

Technology Process of Glycocinnasperimicin D

There total 27 articles about Glycocinnasperimicin D 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:

Benzoic acid (2R,3R,4S,5R,6R)-2-(4-{(E)-2-[3-(4-amino-butylamino)-propylcarbamoyl]-vinyl}-phenoxy)-5-[3-((2R,3R,4R,5R)-4,5-diacetoxy-3-ureido-tetrahydro-pyran-2-yl)-ureido]-3-guanidino-6-methyl-tetrahydro-pyran-4-yl ester → glycocinnasperimicin D (99260-73-8)

Guidance literature:

With ammonium hydroxide; In methanol; at 85 ℃;

DOI:10.1002/anie.200500892

Reference yield:

(2S,3R,4R,5R,6R)-5-azido-2-(iodomethyl)-6-phenoxytetrahydro-2H-pyran-3,4-diol (864875-47-8) → glycocinnasperimicin D (99260-73-8)

Guidance literature:

Multi-step reaction with 16 steps

1: 93 percent / pyridine

2: H₂; Et₃N / Pd/C / ethanol

3: pyridine

4: 86 percent / n-Bu₄NI; CAN / acetonitrile

5: 73 percent / Pd(OAc)2; (o-Tol)3P; Et₃N / acetonitrile / 70 °C

6: Zn; AcOH / tetrahydrofuran

7: HgCl₂; Et₃N / dimethylformamide

8: pyridine / CH₂Cl₂

9: NaN₃ / dimethylformamide

10: 73 percent / HS(CH₂)3SH; Et₃N / methanol

11: acetonitrile

12: Zn; AcOH / tetrahydrofuran

13: CH₂Cl₂

14: Et₃N; MeOH

15: TFA / CH₂Cl₂ / 20 °C

16: aq. NH₃ / methanol / 85 °C

With pyridine; 1.3-propanedithiol; methanol; palladium diacetate; ammonium hydroxide; sodium azide; ammonium cerium(IV) nitrate; hydrogen; tetra-(n-butyl)ammonium iodide; acetic acid; triethylamine; tris-(o-tolyl)phosphine; trifluoroacetic acid; mercury dichloride; zinc; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; dichloromethane; N,N-dimethyl-formamide; acetonitrile; 5: Heck reaction;

DOI:10.1002/anie.200500892

Reference yield:

(2R,3R,4R,5R,6R)-5-azido-2-(hydroxymethyl)-6-phenoxytetrahydro-2H-pyran-3,4-diol (864875-46-7) → glycocinnasperimicin D (99260-73-8)

Guidance literature:

Multi-step reaction with 18 steps

1: 81 percent / pyridine

2: 91 percent / NaI; n-Bu₄NI / 1,2-dimethoxy-ethane

3: 93 percent / pyridine

4: H₂; Et₃N / Pd/C / ethanol

5: pyridine

6: 86 percent / n-Bu₄NI; CAN / acetonitrile

7: 73 percent / Pd(OAc)2; (o-Tol)3P; Et₃N / acetonitrile / 70 °C

8: Zn; AcOH / tetrahydrofuran

9: HgCl₂; Et₃N / dimethylformamide

10: pyridine / CH₂Cl₂

11: NaN₃ / dimethylformamide

12: 73 percent / HS(CH₂)3SH; Et₃N / methanol

13: acetonitrile

14: Zn; AcOH / tetrahydrofuran

15: CH₂Cl₂

16: Et₃N; MeOH

17: TFA / CH₂Cl₂ / 20 °C

18: aq. NH₃ / methanol / 85 °C

With pyridine; 1.3-propanedithiol; methanol; palladium diacetate; ammonium hydroxide; sodium azide; ammonium cerium(IV) nitrate; hydrogen; tetra-(n-butyl)ammonium iodide; acetic acid; triethylamine; tris-(o-tolyl)phosphine; trifluoroacetic acid; sodium iodide; mercury dichloride; zinc; palladium on activated charcoal; In tetrahydrofuran; methanol; 1,2-dimethoxyethane; ethanol; dichloromethane; N,N-dimethyl-formamide; acetonitrile; 7: Heck reaction;

DOI:10.1002/anie.200500892

upstream raw materials:

(2S,3R,4R,5R,6R)-5-azido-2-(iodomethyl)-6-phenoxytetrahydro-2H-pyran-3,4-diol

(2R,3R,4R,5R,6R)-5-azido-2-(hydroxymethyl)-6-phenoxytetrahydro-2H-pyran-3,4-diol

(2R,3R,4R,5R,6S)-3-azido-5-hydroxy-6-(iodomethyl)-2-phenoxytetrahydro-2H-pyran-4-yl benzoate

(3R,4R,5R,6R)-6-azido-5-((2,2,2-trichloroethoxy)carbonylamino)tetrahydro-2H-pyran-3,4-diyl diacetate

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