Ruscopine

Base Information

• Chemical Name: Ruscopine
• CAS No.: 3912-65-0
• Molecular Formula: C₁₆H₂₆N₄O₂
• Molecular Weight: 306.408
• DSSTox Substance ID: DTXSID90331592
• Nikkaji Number: J8.274K
• Wikidata: Q27108185
• Metabolomics Workbench ID: 68857
• Mol file: 3912-65-0.mol

Synonyms:Ruscopine;3912-65-0;C08510;N'-[6-(aminomethylideneamino)-1-(3,4-dimethoxyphenyl)hexan-3-yl]methanimidamide;AC1L9BCM;CHEBI:8914;DTXSID90331592;Q27108185;Methanimidamide, N,N''-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1,4-butanediyl]bis-, ()-;N'-[4-(aminomethyleneamino)-1-[2-(3,4-dimethoxyphenyl)ethyl]butyl]formamidine

Chemical Property of Ruscopine

Chemical Property:

• Boiling Point: 504.7°Cat760mmHg
• Flash Point: 259°C
• Density: 1.11g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 306.20557608
• Heavy Atom Count: 22
• Complexity: 336

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCC(CCCN=CN)N=CN)OC

Technology Process of Ruscopine

There total 5 articles about Ruscopine 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:

1-bromo-3-(3,4-dimethoxyphenyl)propane (3945-85-5) → (+/-)-Acanthoidin (3912-65-0,6793-30-2,94347-15-6)

Guidance literature:

Multi-step reaction with 5 steps

1: AgNO₂ / diethyl ether

2: Et₃N

3: NH₃ / methanol

4: LiAlH₄ / tetrahydrofuran

5: diethyl ether

With lithium aluminium tetrahydride; silver(I) nitrite; ammonia; triethylamine; In tetrahydrofuran; methanol; diethyl ether;

DOI:10.1016/S0040-4020(01)99270-1

Reference yield:

3,4-methoxycinnamic acid (2107-70-2) → (+/-)-Acanthoidin (3912-65-0,6793-30-2,94347-15-6)

Guidance literature:

Multi-step reaction with 7 steps

1: LiAlH₄ / diethyl ether

2: PBr₃ / CCl₄

3: AgNO₂ / diethyl ether

4: Et₃N

5: NH₃ / methanol

6: LiAlH₄ / tetrahydrofuran

7: diethyl ether

With lithium aluminium tetrahydride; silver(I) nitrite; ammonia; phosphorus tribromide; triethylamine; In tetrahydrofuran; methanol; tetrachloromethane; diethyl ether;

DOI:10.1016/S0040-4020(01)99270-1

Reference yield:

(+/-)-6-(3,4-Dimethoxy-phenyl)-4-nitro-hexansaeure-methylester (92498-35-6) → (+/-)-Acanthoidin (3912-65-0,6793-30-2,94347-15-6)

Guidance literature:

Multi-step reaction with 3 steps

1: NH₃ / methanol

2: LiAlH₄ / tetrahydrofuran

3: diethyl ether

With lithium aluminium tetrahydride; ammonia; In tetrahydrofuran; methanol; diethyl ether;

DOI:10.1016/S0040-4020(01)99270-1

upstream raw materials:

formimidic acid ethyl ester

(+/-)-1,4-Diamino-6-(3,4-dimethoxy-phenyl)-hexan

1-bromo-3-(3,4-dimethoxyphenyl)propane

3,4-methoxycinnamic acid