Rhizocticin A

Base Information

Chemical Name:Rhizocticin A
CAS No.:114301-25-6
Molecular Formula:C₁₁H₂₂N₅O₆P
Molecular Weight:351.299
Hs Code.:
ChEMBL ID:CHEMBL2415100
DSSTox Substance ID:DTXSID101200234
Metabolomics Workbench ID:78638
Wikidata:Q27155333
Mol file:114301-25-6.mol

Synonyms:Arg-APPA;arginyl-2-amino-5-phosphono-3-pentenoic acid;rhizocticin A

Suppliers and Price of Rhizocticin A

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

Total 1 raw suppliers

Chemical Property of Rhizocticin A

Chemical Property:

Boiling Point:°Cat760mmHg
PKA:2.15±0.10(Predicted)
Flash Point:°C
PSA：221.66000
Density:1.64g/cm³
LogP:0.16240
XLogP3:-6.2
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:351.13077044
Heavy Atom Count:23
Complexity:513

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C(CC(C(=O)NC(C=CCP(=O)(O)O)C(=O)O)N)CN=C(N)N
Isomeric SMILES:C(C[C@@H](C(=O)N[C@@H](/C=C\CP(=O)(O)O)C(=O)O)N)CN=C(N)N

Technology Process of Rhizocticin A

There total 15 articles about Rhizocticin 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:

: C₁₂H₂₄N₅O₆P

: 114301-25-6
L-arginyl-5-phosphono-L-cis-3,4-didehydronorvaline

Guidance literature:: C₁₂H₂₄N₅O₆P; With water; lithium hydroxide; In tetrahydrofuran; at 20 ℃;

With hydrogenchloride; In tetrahydrofuran; water;
DOI:10.1016/j.bmc.2013.06.064

Reference yield:

: 126587-36-8
(4S)-1,1-dimethylethyl 4-<(Z)-3'-methoxy-3'-oxo-1'-propenyl>-2,2-dimethyl-3-oxazolidinecarboxylate

: 114301-25-6
L-arginyl-5-phosphono-L-cis-3,4-didehydronorvaline

Guidance literature:: Multi-step reaction with 10 steps

1.1: diisobutylaluminium hydride / toluene; hexane / 2 h / -78 °C / Inert atmosphere

2.1: carbon tetrabromide; triphenylphosphine / dichloromethane / 0.33 h / 0 °C / Inert atmosphere

3.1: 8 h / 100 °C

4.1: dichloromethane / 0.5 h / 20 °C

5.1: O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; potassium hydrogencarbonate / N,N-dimethyl-formamide; tetrahydrofuran / 18 h / 20 °C

6.1: periodic acid; chromium(VI) oxide / acetonitrile / 3.5 h / 0 °C

7.1: potassium carbonate / acetonitrile / 6 h / 20 °C

8.1: trimethylsilyl bromide / dichloromethane / 6 h / 0 - 20 °C / Inert atmosphere

8.2: 1 h

9.1: trimethylsilyl bromide; trifluoroacetic acid / water; dichloromethane / 2 h / 20 °C

10.1: lithium hydroxide; water / tetrahydrofuran / 20 °C

With chromium(VI) oxide; trimethylsilyl bromide; carbon tetrabromide; water; diisobutylaluminium hydride; potassium carbonate; potassium hydrogencarbonate; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; periodic acid; triphenylphosphine; trifluoroacetic acid; lithium hydroxide; In tetrahydrofuran; hexane; dichloromethane; water; N,N-dimethyl-formamide; toluene; acetonitrile; 3.1: |Michaelis-Arbuzov Synthesis;
DOI:10.1016/j.bmc.2013.06.064

Reference yield:

: 130532-55-7
(4S)-3-N-(tert-butoxycarbonyl)-4-<3-hydroxy-(1Z)-propenyl>-2,2-dimethyl-1,3-oxazolidine

: 114301-25-6
L-arginyl-5-phosphono-L-cis-3,4-didehydronorvaline

Guidance literature:: Multi-step reaction with 10 steps

1.1: carbon tetrabromide; triphenylphosphine / dichloromethane / 0.33 h / 0 °C / Inert atmosphere

2.1: 8 h / 100 °C

3.1: Dowex 50XW H⁺ resin / water; methanol / 20 °C

4.1: periodic acid; chromium(VI) oxide / water; acetonitrile / 3.5 h / 0 °C

5.1: potassium carbonate / acetonitrile / 6 h / 20 °C

6.1: dichloromethane

7.1: O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; potassium hydrogencarbonate / N,N-dimethyl-formamide; tetrahydrofuran / 18 h / 20 °C

8.1: trimethylsilyl bromide / dichloromethane / 6 h / 0 - 20 °C / Inert atmosphere

8.2: 1 h

9.1: trimethylsilyl bromide; trifluoroacetic acid / water; dichloromethane / 2 h / 20 °C

10.1: lithium hydroxide; water / tetrahydrofuran / 20 °C

With chromium(VI) oxide; trimethylsilyl bromide; carbon tetrabromide; water; potassium carbonate; potassium hydrogencarbonate; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; periodic acid; triphenylphosphine; trifluoroacetic acid; lithium hydroxide; In tetrahydrofuran; methanol; dichloromethane; water; N,N-dimethyl-formamide; acetonitrile; 2.1: |Michaelis-Arbuzov Synthesis;
DOI:10.1016/j.bmc.2013.06.064