n-Benzyl-2,2-dimethoxyethanamine

Base Information

• Chemical Name: n-Benzyl-2,2-dimethoxyethanamine
• CAS No.: 54879-88-8
• Molecular Formula: C11H17 N O2
• Molecular Weight: 195.261
• Hs Code.: 2922199090
• NSC Number: 124714
• DSSTox Substance ID: DTXSID60970215
• Nikkaji Number: J1.362.813K
• Wikidata: Q82953351
• Mol file: 54879-88-8.mol

Synonyms:n-benzyl-2,2-dimethoxyethanamine;54879-88-8;benzyl(2,2-dimethoxyethyl)amine;N-Benzyl-2,2-dimethoxyethan-1-amine;C11H17NO2;NSC124714;Benzenemethanamine, N-(2,2-dimethoxyethyl)-;2,2-dimethoxyethylbenzylamine;SCHEMBL3168512;DTXSID60970215;MFCD00963826;AKOS001945382;N-Benzyl-2,2-dimethoxy-1-ethanamine;NSC-124714;AM806058;AS-61057;CS-0039120;EN300-43062;W10005;Z86134485

Chemical Property of n-Benzyl-2,2-dimethoxyethanamine

Chemical Property:

• Vapor Pressure: 0.0144mmHg at 25°C
• Boiling Point: 257.7°Cat760mmHg
• PKA: 7.30±0.29(Predicted)
• Flash Point: 105.8°C
• PSA: 30.49000
• Density: 1.008g/cm³
• LogP: 1.78600
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 195.125928785
• Heavy Atom Count: 14
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

N-Benzyl-2,2-dimethoxyethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(CNCC1=CC=CC=C1)OC
• Uses: N-Benzyl-2,2-dimethoxyethanamine is used in the preparation of guanidylimidazole and guanidylimidazoline derivs. as antimalarial agents.

Technology Process of n-Benzyl-2,2-dimethoxyethanamine

There total 14 articles about n-Benzyl-2,2-dimethoxyethanamine 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%

1-bromo-2,2-dimethoxyethane (7252-83-7) + benzylamine (100-46-9) → N-benzyl-2,2-dimethoxyethylamine (54879-88-8)

Guidance literature:

at 80 ℃; for 18h; Inert atmosphere; sealed tube;

DOI:10.1021/jm200503s

Reference yield: 95.0%

benzaldehyde (100-52-7) + 2,2-dimethoxyethylamine (22483-09-6) → N-benzyl-2,2-dimethoxyethylamine (54879-88-8)

Guidance literature:

benzaldehyde; 2,2-dimethoxyethylamine; In ethanol; at 20 ℃; for 12h;

With sodium tetrahydroborate; In ethanol; at 0 - 20 ℃; for 4h;

DOI:10.1016/j.tetlet.2016.04.031

Reference yield: 77.0%

chloroacetaldehyde dimethyl acetal (97-97-2) + benzylamine (100-46-9) → N-benzyl-2,2-dimethoxyethylamine (54879-88-8)

Guidance literature:

In toluene; at 111 ℃; for 168h;

DOI:10.1021/acs.oprd.1c00139

upstream raw materials:

1-bromo-2,2-dimethoxyethane

benzylamine

chloroacetaldehyde dimethyl acetal

(2,2-Dimethoxy-ethyl)-[1-phenyl-meth-(Z)-ylidene]-amine

Downstream raw materials:

benzyl-[2,2-bis-(3,4-dimethoxy-phenyl)-ethyl]-amine

9,10-bis-benzylaminomethyl-2,3,6,7-tetramethoxy-9,10-dihydro-anthracene

N-benzyl-N'-(1-phenyl-propyl)-ethylenediamine

1-benzyl-1H-imidazole-2-thione