Dibemethine

Base Information

• Chemical Name: Dibemethine
• CAS No.: 102-05-6
• Molecular Formula: C15H17N
• Molecular Weight: 211.307
• Hs Code.: 2921499090
• European Community (EC) Number: 203-001-6
• NSC Number: 163900
• UNII: 67VKG5DY8W
• DSSTox Substance ID: DTXSID4046238
• Nikkaji Number: J5.002D
• Wikidata: Q27264173
• NCI Thesaurus Code: C77314
• ChEMBL ID: CHEMBL2106280
• Mol file: 102-05-6.mol

Synonyms:N-benzyl-N-methyl-1-phenylmethanamine

Chemical Property of Dibemethine

Chemical Property:

• Vapor Pressure: 0.00231mmHg at 25°C
• Melting Point: 50 °C
• Refractive Index: 1.578
• Boiling Point: 288.7 °C at 760 mmHg
• PKA: 7.85±0.50(Predicted)
• Flash Point: 117.3 °C
• PSA: 3.24000
• Density: 1.022 g/cm³
• LogP: 3.31860
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 211.136099547
• Heavy Atom Count: 16
• Complexity: 158

Purity/Quality:

98%,99%, ^*data from raw suppliers

Dibemethine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(CC1=CC=CC=C1)CC2=CC=CC=C2

Technology Process of Dibemethine

There total 92 articles about Dibemethine 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: 98.0%

N-methyl-N-benzylbenzamide (61802-83-3) → N-methyldibenzylamine (102-05-6)

Guidance literature:

With 1,1,3,3-Tetramethyldisiloxane; tris(pentafluorophenyl)borate; In toluene; at 50 ℃; for 1h; Inert atmosphere;

DOI:10.1021/jo501299j

Reference yield: 97.0%

benzyl-methyl-amine (103-67-3) + benzyl alcohol (100-51-6,185532-71-2) → N-methyldibenzylamine (102-05-6)

Guidance literature:

With Ru(OH)_x/TiO₂; In 1,3,5-trimethyl-benzene; at 130 ℃; for 3h; under 760.051 Torr; Inert atmosphere;

DOI:10.1002/chem.201000149

Reference yield: 97.0%

N-benzyl-N-methylbenzothioamide (73641-17-5) → N-methyldibenzylamine (102-05-6)

Guidance literature:

With bromopentacarbonylmanganese(I); hydrogen; triethylamine; copper(I) bromide; at 100 ℃; for 1h; under 22502.3 Torr; Autoclave;

upstream raw materials:

N,N'-dimethylbenzylamine

benzyltrimethylammonium chloride

(furan-2-ylmethyl)dimethylamine

methyl iodide

Downstream raw materials:

Benzylmethylnitrosamin

dibenzylnitrosamine

benzaldehyde

dibenzylamine

Refernces

• 1、 Patil, Nilesh M.,Bhanage, Bhalchandra M.. "Fe@Pd/C: An efficient magnetically separable catalyst for direct reductive amination of carbonyl compounds using environment friendly molecular hydrogen in aqueous reaction medium". . p. 182 - 189. Retrieved 2015.
• 2、 Arcelli, Antonio,Bui-The-Khai,Porzi, Gianni. "THE HOMOGENEOUSLY CATALYSED SYNTHESIS OF N-METHYLDIALKYLAMINES FROM N-METHYL AND N,N-DIMETHYLALKYLAMIMES". . p. C31 - C34. Retrieved 1982.
• 3、 Dombray, Thomas,Helleu, Camille,Darcel, Christophe,Sortais, Jean-Baptiste. "Cobalt carbonyl-based catalyst for hydrosilylation of carboxamides". . p. 3358 - 3362. Retrieved 2013.
• 4、 Bhattacharyya. "Borohydride reductions in dichloromethane: A convenient, environmentally compatible procedure for the methylation of amines". . p. 2061 - 2069. Retrieved 1995.
• 5、 da Silva, Renato A.,Estevam, Idália H.S.,Bieber, Lothar W.. "Reductive methylation of primary and secondary amines and amino acids by aqueous formaldehyde and zinc". . p. 7680 - 7682. Retrieved 2007.
• 6、 Utsunomiya, Masaru,Hartwig, John F.. "Intermolecular, Markovnikov Hydroamination of Vinylarenes with Alkylamines". . p. 14286 - 14287. Retrieved 2003.
• 7、 Nishioka, Hiroyasu,Nagasawa, Masaaki,Yoshida, Kiyoshi. "Regioselective dealkylation of 2-alkoxybenzoic acid and its amide derivatives with aliphatic amines". . p. 243 - 246. Retrieved 2000.
• 8、 Yoshimura,N. et al.. "-". . p. 3038 - 3039. Retrieved 1973.
• 9、 Tajbakhsh, Mahmood,Lakouraj, Moslem Mansour,Mahalli, Majid Shabani. "Direct reductive amination of aldehydes and ketones with 2,4-ionene-based borohydride exchange resin as a novel polymer-supported reducing agent". . p. 1976 - 1983. Retrieved 2008.
• 10、 Fujita, Ken-Ichi,Li, Zhenzi,Ozeki, Naohiro,Yamaguchi, Ryohei. "N-Alkylation of amines with alcohols catalyzed by a Cp*Ir complex". . p. 2687 - 2690. Retrieved 2003.