S(+)-APOMORPHINE HYDROCHLORIDE HYDRATE

Base Information

• Chemical Name: S(+)-APOMORPHINE HYDROCHLORIDE HYDRATE
• CAS No.: 41035-30-7
• Molecular Formula: C₁₇H₁₇NO₂*ClH
• Molecular Weight: 303.788
• NSC Number: 755875
• DSSTox Substance ID: DTXSID10961395
• ChEMBL ID: CHEMBL1315821
• Mol file: 41035-30-7.mol

Synonyms:4H-Dibenzo[de,g]quinoline-10,11-diol,5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, (S)- (9CI);(6aS)-10,11-Dihydroxyaporphine hydrochloride; (S)-(+)-Apomorphinehydrochloride; (S)-Apomorphine hydrochloride

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Chemical Property of S(+)-APOMORPHINE HYDROCHLORIDE HYDRATE

Chemical Property:

• PSA: 43.70000
• LogP: 3.58980
• Storage Temp.: 2-8°C
• Solubility.: ethanol: 20 mg/mL
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 303.1026065
• Heavy Atom Count: 21
• Complexity: 374

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1CCC2=C3C1CC4=C(C3=CC=C2)C(=C(C=C4)O)O.Cl

Technology Process of S(+)-APOMORPHINE HYDROCHLORIDE HYDRATE

There total 27 articles about S(+)-APOMORPHINE HYDROCHLORIDE HYDRATE 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:

MORPHIN (57-27-2) → apomorphine hydrochloride (314-19-2,41035-30-7,5896-07-1)

Guidance literature:

With hydrogenchloride; calcium chloride; In water; at 45 - 145 ℃; for 2h; Inert atmosphere;

Reference yield:

neomorphine (86709-01-5) → apomorphine hydrochloride (314-19-2,41035-30-7,5896-07-1)

Guidance literature:

Multi-step reaction with 4 steps

1: 95 percent

2: 85 percent / pyridine / 1.) 0 deg C, 2 h, 2.) r.t., 24 h

3: 80 percent / tetrabutylammonium fluoride / acetonitrile / 3 h / Heating

4: 1.) methanesulfonic acid, 2.) hydrochloric acid / 1.) 100 deg C, 30 min, 2.) ethanol

With pyridine; hydrogenchloride; methanesulfonic acid; tetrabutyl ammonium fluoride; In acetonitrile;

Reference yield:

3-O-acetylneomorphine (86680-37-7) → apomorphine hydrochloride (314-19-2,41035-30-7,5896-07-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 85 percent / pyridine / 1.) 0 deg C, 2 h, 2.) r.t., 24 h

2: 80 percent / tetrabutylammonium fluoride / acetonitrile / 3 h / Heating

3: 1.) methanesulfonic acid, 2.) hydrochloric acid / 1.) 100 deg C, 30 min, 2.) ethanol

With pyridine; hydrogenchloride; methanesulfonic acid; tetrabutyl ammonium fluoride; In acetonitrile;

upstream raw materials:

(3,4-dimethoxyphenoxy)trimethylsilane

methyl-N-(benzyl-methyl)-formamide

10,11-dimethoxy-6-methyl-aporphane

phenethylamine

Downstream raw materials:

(R)-MDO-Apomorphine

8-[2-(methylamino)-ethyl]-phenanthrene-3,4-dioxide

oxoapomorphine

5,6,6a,7-tetrahydro-6-methyl-4H-dibenzo[de,g]quinoline-10,11-diol

Refernces

• 1、 -. "PHARMACEUTICAL COMPOSITION FOR USE IN THE TREATMENT OF NEUROLOGICAL DISEASES". . . Retrieved 2021/02/12.
• 2、 Muraca, Ana Carolina A.,Perecim, Givago P.,Rodrigues, Alessandro,Raminelli, Cristiano. "Convergent Total Synthesis of (±)-Apomorphine via Benzyne Chemistry: Insights into the Mechanisms Involved in the Key Step". . p. 3546 - 3557. Retrieved 2017/08/15.