5-(3-Bromopropyl)-3,8-bis((ethoxycarbonyl)amino)-6-phenylphenanthridinium bromide

Base Information

• Chemical Name: 5-(3-Bromopropyl)-3,8-bis((ethoxycarbonyl)amino)-6-phenylphenanthridinium bromide
• CAS No.: 62113-49-9
• Molecular Formula: C28H29Br2N3O4
• Molecular Weight: 631.364
• European Community (EC) Number: 263-412-1
• Mol file: 62113-49-9.mol

Synonyms:62113-49-9;5-(3-Bromopropyl)-3,8-bis((ethoxycarbonyl)amino)-6-phenylphenanthridinium bromide;EINECS 263-412-1;3,8-Bis(ethoxycarbonylamino)-5-(3-bromopropyl)-6-phenyl-phenanthridinium Bromide;3,8-bis-Ethoxycarbonylamino-5-(3-bromo-propyl)-6-phenyl-phenanthridinium bromide;ethyl N-[5-(3-bromopropyl)-3-(ethoxycarbonylamino)-6-phenylphenanthridin-5-ium-8-yl]carbamate;bromide;5-(3-bromopropyl)-3,8-bis[(ethoxycarbonyl)amino]-6-phenylphenanthridinium bromide;C28H29BrN3O4.Br;FEKABAHLFSPQDM-UHFFFAOYSA-N;C28-H29-Br-N3-O4.Br;AKOS030240422;FT-0663281;3,8-BIS-ETHOXYCARBONYLAMINO-5-(3-BROMO-PROPYL)-6-PHENYL?-PHENANTHRIDINIUM BROMIDE;5-(3-Bromopropyl)-3,8-bis((ethoxycarbonyl)amino)-6-phenylphenanthridin-5-ium bromide;Phenanthridinium, 5-(3-bromopropyl)-3,8-bis[(ethoxycarbonyl)amino]-6-phenyl-, bromide;3,8-BIS-ETHOXYCARBONYLAMINO-5-(3-BROMO-PROPYL)-6-PHENYL_x000b_-PHENANTHRIDINIUM BROMIDE

Chemical Property of 5-(3-Bromopropyl)-3,8-bis((ethoxycarbonyl)amino)-6-phenylphenanthridinium bromide

Chemical Property:

• Melting Point: 248-250oC
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 85.41000
• Density: g/cm³
• LogP: 7.84380
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO, Methanol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 631.05043
• Heavy Atom Count: 37
• Complexity: 719

Purity/Quality:

98.5% ^*data from raw suppliers

3,8-Bis(ethoxycarbonylamino)-5-(3-bromopropyl)-6-phenyl-phenanthridiniumBromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)NC1=CC2=C([N+](=C3C=C(C=CC3=C2C=C1)NC(=O)OCC)CCCBr)C4=CC=CC=C4.[Br-]

Technology Process of 5-(3-Bromopropyl)-3,8-bis((ethoxycarbonyl)amino)-6-phenylphenanthridinium bromide

There total 1 articles about 5-(3-Bromopropyl)-3,8-bis((ethoxycarbonyl)amino)-6-phenylphenanthridinium bromide 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:

bis(ethoxycarbonylamino)-3,8 phenyl-6 phenanthridine (62895-39-0) + 1,3-dibromo-propane (109-64-8) → 3,8-biscarbethoxyamino-5-(3'-bromopropyl)-6-phenylphenanthridinium bromide (62113-49-9)

Guidance literature:

at 175 ℃;

Reference yield: 90.0%

3,8-biscarbethoxyamino-5-(3'-bromopropyl)-6-phenylphenanthridinium bromide (62113-49-9) → Diethyl 1,3,4,13b-Tetrahydro-13b-phenyl-2H-pyrimido<1,2-f>phenanthridine-7,12-dicarbamate (83495-19-6)

Guidance literature:

With ammonia; In ethanol; for 24h;

DOI:10.1002/jhet.5570190355

Reference yield:

3,8-biscarbethoxyamino-5-(3'-bromopropyl)-6-phenylphenanthridinium bromide (62113-49-9) → N,N'-(3,3'<5,5'-Bis(3,8-biscarbethoxyamino-6-phenyl)phenanthridinium)>-propyl)glutarylamide dichloride (83495-20-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / NH₃(g) / ethanol / 24 h

2: 40 percent / dimethylformamide / overnight

With ammonia; In ethanol; N,N-dimethyl-formamide;

DOI:10.1002/jhet.5570190355

upstream raw materials:

bis(ethoxycarbonylamino)-3,8 phenyl-6 phenanthridine

1,3-dibromo-propane

Downstream raw materials:

Diethyl 1,3,4,13b-Tetrahydro-13b-phenyl-2H-pyrimido<1,2-f>phenanthridine-7,12-dicarbamate

N,N'-(3,3'<5,5'-Bis(3,8-biscarbethoxyamino-6-phenyl)phenanthridinium)>-propyl)glutarylamide dichloride