Acetylcorynoline

Base Information

• Chemical Name: Acetylcorynoline
• CAS No.: 18797-80-3
• Molecular Formula: C₂₃H₂₃NO₆
• Molecular Weight: 409.439
• Hs Code.: 29399990
• European Community (EC) Number: 683-178-8
• UNII: 6ZFQ6Y9RZD
• DSSTox Substance ID: DTXSID70172127
• Nikkaji Number: J431.368B
• Wikipedia: Acetylcorynoline
• Wikidata: Q15410236
• ChEMBL ID: CHEMBL4129674
• Mol file: 18797-80-3.mol

Synonyms:acetylcorynoline

Chemical Property of Acetylcorynoline

Chemical Property:

• Vapor Pressure: 4.26E-10mmHg at 25°C
• Melting Point: 158～159℃
• Refractive Index: 1.667
• Boiling Point: 499.1 °C at 760 mmHg
• Flash Point: 255.7 °C
• PSA: 66.46000
• Density: 1.42 g/cm³
• LogP: 3.01410
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 409.15253745
• Heavy Atom Count: 30
• Complexity: 703

Purity/Quality:

≥98% ^*data from raw suppliers

Acetylcorynoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CC2=CC3=C(C=C2C4C1(C5=C(CN4C)C6=C(C=C5)OCO6)C)OCO3
• Isomeric SMILES: CC(=O)O[C@H]1CC2=CC3=C(C=C2[C@@H]4[C@]1(C5=C(CN4C)C6=C(C=C5)OCO6)C)OCO3

Technology Process of Acetylcorynoline

There total 21 articles about Acetylcorynoline 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:

C21H20NO4(1+) (123190-33-0) → (+/-)-acetylcorynoline (18797-80-3,42881-67-4,42881-69-6,67968-38-1,112317-39-2,123190-35-2)

Guidance literature:

Multi-step reaction with 5 steps

1: 25percent KOH / methanol

2: Tl(NO₃)3 / 0.5 h / Ambient temperature

3: 1) NaBH₄ 2) 15percent HCl / 1) 0 deg C, 2) methanol, room temp.

4: NaBH₃CN / 1 h / 0 °C

5: pyridine

With hydrogenchloride; potassium hydroxide; sodium tetrahydroborate; sodium cyanoborohydride; thallium(III) nitrate; In pyridine; methanol;

DOI:10.1016/S0040-4039(00)82413-2

Reference yield:

corysamine (30243-28-8) → (+/-)-acetylcorynoline (18797-80-3,42881-67-4,42881-69-6,67968-38-1,112317-39-2,123190-35-2)

Guidance literature:

Multi-step reaction with 6 steps

1: 1) LiAlH₄

2: 25percent KOH / methanol

3: Tl(NO₃)3 / 0.5 h / Ambient temperature

4: 1) NaBH₄ 2) 15percent HCl / 1) 0 deg C, 2) methanol, room temp.

5: NaBH₃CN / 1 h / 0 °C

6: pyridine

With hydrogenchloride; potassium hydroxide; sodium tetrahydroborate; lithium aluminium tetrahydride; sodium cyanoborohydride; thallium(III) nitrate; In pyridine; methanol;

DOI:10.1016/S0040-4039(00)82413-2

Reference yield:

6,8-Dimethyl-7-(6-vinyl-benzo[1,3]dioxol-5-yl)-8,9-dihydro-[1,3]dioxolo[4,5-h]isoquinoline (96422-45-6) → (+/-)-acetylcorynoline (18797-80-3,42881-67-4,42881-69-6,67968-38-1,112317-39-2,123190-35-2)

Guidance literature:

Multi-step reaction with 4 steps

1: Tl(NO₃)3 / 0.5 h / Ambient temperature

2: 1) NaBH₄ 2) 15percent HCl / 1) 0 deg C, 2) methanol, room temp.

3: NaBH₃CN / 1 h / 0 °C

4: pyridine

With hydrogenchloride; sodium tetrahydroborate; sodium cyanoborohydride; thallium(III) nitrate; In pyridine;

DOI:10.1016/S0040-4039(00)82413-2

upstream raw materials:

acetic anhydride

(11SR,13RS,14RS)-corynoline

C₂₁H₂₀NO₄⁽¹⁺⁾

corysamine