Apomorphine diacetate

Base Information

• Chemical Name: Apomorphine diacetate
• CAS No.: 6191-56-6
• Molecular Formula: C21H21NO4
• Molecular Weight: 351.402
• UNII: 1USW70QZGV
• DSSTox Substance ID: DTXSID40210944
• Nikkaji Number: J1.815.309B
• Wikidata: Q27252917
• NCI Thesaurus Code: C83535
• Pharos Ligand ID: WSC41RUCM35H
• ChEMBL ID: CHEMBL3276140
• Mol file: 6191-56-6.mol

Synonyms:Apomorphine diacetate;Diacetylapomorphine;UNII-1USW70QZGV;1USW70QZGV;6191-56-6;CHEMBL3276140;(R)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)quinoline-10,11-diol diacetate (ester);6a-beta-Apomorphine-10,11-diol, diacetate (ester);4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, diacetate (ester), (R)-;4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, diacetate (ester), (R)-;6a.beta.-Apomorphine-10,11-diol, diacetate (ester);SCHEMBL584926;DTXSID40210944;BDBM50511512;LS-61215;APOMORPHINE DIACETATE (ESTER) [MI];Q27252917;6A.BETA.-APORPHINE-10,11-DIOL DIACETATE (ESTER);(6aR)-10,11-Diacetoxy 5,6,6a,7-tetrahydro-6-methyl-4H-dibenzo[de,g]quinoline;(6AR)-5,6,6A,7-TETRAHYDRO-6-METHYL-4H-DIBENZO(DE,G)QUINOLINE-10,11-DIOL DIACETATE (ESTER)

Chemical Property of Apomorphine diacetate

Chemical Property:

• Vapor Pressure: 3.34E-10mmHg at 25°C
• Melting Point: 127-128°
• Boiling Point: 501.9°C at 760 mmHg
• PKA: 7.71±0.20(Predicted)
• Flash Point: 257.3°C
• PSA: 55.84000
• Density: 1.237g/cm³
• LogP: 3.22720
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 351.14705815
• Heavy Atom Count: 26
• Complexity: 564

Purity/Quality:

99% ^*data from raw suppliers

APOMORPHINE DIACETATE ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=C(C2=C(CC3C4=C(CCN3C)C=CC=C42)C=C1)OC(=O)C
• Isomeric SMILES: CC(=O)OC1=C(C2=C(C[C@@H]3C4=C(CCN3C)C=CC=C42)C=C1)OC(=O)C

Technology Process of Apomorphine diacetate

There total 8 articles about Apomorphine diacetate 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: 99.0%

acetic anhydride (108-24-7) + apomorphine hydrochloride (314-19-2,41035-30-7,5896-07-1) → (R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diyl diacetate (6191-56-6,18720-24-6)

Guidance literature:

With pyridine; at 20 ℃; for 5h;

DOI:10.1021/acsmedchemlett.9b00575

Reference yield: 88.0%

acetic anhydride (108-24-7) + (±)-apomorphine hydrochloride (314-19-2,41035-30-7,5896-07-1) → diacetyl apomorphine (6191-56-6,18720-24-6)

Guidance literature:

With pyridine; at 20 ℃; for 24h;

DOI:10.1039/b204605a

Reference yield: 88.0%

pyridine (110-86-1) + 5,6,6a,7-tetrahydro-6-methyl-4H-dibenzo[de,g]quinoline-10,11-diol (58-00-4) + acetic anhydride (108-24-7) → diacetyl apomorphine (6191-56-6,18720-24-6)

Guidance literature:

at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1016/j.ejpb.2011.01.024

upstream raw materials:

acetic anhydride

apomorphine hydrochloride

apomorphin

(±)-apomorphine hydrochloride

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