6-(Aminoiminomethyl)-2-naphthalenyl 4-(aminomethyl)benzoate dimethanesulfonate

Base Information

• Chemical Name: 6-(Aminoiminomethyl)-2-naphthalenyl 4-(aminomethyl)benzoate dimethanesulfonate
• CAS No.: 82956-02-3
• Molecular Formula: C21H25N3O8S2
• Molecular Weight: 511.577
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID001003025
• Mol file: 82956-02-3.mol

Synonyms:82956-02-3;6-(Aminoiminomethyl)-2-naphthalenyl 4-(aminomethyl)benzoate dimethanesulfonate;6-Amidino-2-naphthyl-4-aminomethylbenzoate dimethanesulfonate;Benzoic acid, 4-(aminomethyl)-, 6-(aminoiminomethyl)-2-naphthalenyl ester, dimethanesulfonate;SCHEMBL7345696;DTXSID001003025;LS-35936;6-Carbamimidoylnaphthalen-2-yl 4-(aminomethyl)benzoate dimethanesulfonate;6-carbamimidoylnaphthalen-2-yl 4-(aminomethyl)benzoate;bis(methanesulfonic acid);Methanesulfonic acid--6-carbamimidoylnaphthalen-2-yl 4-(aminomethyl)benzoate (2/1)

Chemical Property of 6-(Aminoiminomethyl)-2-naphthalenyl 4-(aminomethyl)benzoate dimethanesulfonate

Chemical Property:

• Vapor Pressure: 1.58E-12mmHg at 25°C
• Melting Point: 242-244 °C
• Boiling Point: 559°Cat760mmHg
• Flash Point: 291.9°C
• PSA: 227.69000
• Density: g/cm³
• LogP: 5.47170
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 511.10830711
• Heavy Atom Count: 34
• Complexity: 552

Purity/Quality:

6-AMIDINO-2-NAPHTHYL-4-AMINOMETHYLBENZOATE DIMETHANESULFONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1CN)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N

Technology Process of 6-(Aminoiminomethyl)-2-naphthalenyl 4-(aminomethyl)benzoate dimethanesulfonate

There total 5 articles about 6-(Aminoiminomethyl)-2-naphthalenyl 4-(aminomethyl)benzoate dimethanesulfonate 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:

6-Amidino-2-naphthol (58200-88-7) → 6-amidino-2-naphthyl 4-aminomethylbenzoate dimethanesulfonate (82956-02-3)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol

2: 1.) pyridine, room temp., 5 h; 2.) MeOH

In methanol;

DOI:10.1248/cpb.33.1458

Reference yield:

6-bromo-naphthalen-2-ol (15231-91-1) → 6-amidino-2-naphthyl 4-aminomethylbenzoate dimethanesulfonate (82956-02-3)

Guidance literature:

Multi-step reaction with 5 steps

1: 83 percent / CuCN / dimethylformamide / 3 h / 160 - 170 °C

2: HCl / Ambient temperature

3: NH₃ / methanol / 3 h / 50 °C

4: methanol

5: 1.) pyridine, room temp., 5 h; 2.) MeOH

With hydrogenchloride; ammonia; In methanol; N,N-dimethyl-formamide;

DOI:10.1248/cpb.33.1458

Reference yield:

6-cyano-2-naphthol (52927-22-7) → 6-amidino-2-naphthyl 4-aminomethylbenzoate dimethanesulfonate (82956-02-3)

Guidance literature:

Multi-step reaction with 4 steps

1: HCl / Ambient temperature

2: NH₃ / methanol / 3 h / 50 °C

3: methanol

4: 1.) pyridine, room temp., 5 h; 2.) MeOH

With hydrogenchloride; ammonia; In methanol;

DOI:10.1248/cpb.33.1458

upstream raw materials:

6-bromo-naphthalen-2-ol

6-cyano-2-naphthol

6-Amidino-2-naphthol

6-Hydroxy-naphthalene-2-carboximidic acid methyl ester

Refernces

• 1、 -. "AMIDINE COMPOUND". . . Retrieved 2008/06/13.