Benzenemethanamine, 4-(2-methyl-1,3-dioxolan-2-yl)-

Base Information

• Chemical Name: Benzenemethanamine, 4-(2-methyl-1,3-dioxolan-2-yl)-
• CAS No.: 66522-61-0
• Molecular Formula: C11H15NO2
• Molecular Weight: 193.246
• DSSTox Substance ID: DTXSID20498182
• Wikidata: Q82348078

Synonyms:66522-61-0;Benzenemethanamine, 4-(2-methyl-1,3-dioxolan-2-yl)-;(4-(2-Methyl-1,3-dioxolan-2-yl)phenyl)methanamine;[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methanamine;SCHEMBL507521;DTXSID20498182;FNYJTLDRTBOOGQ-UHFFFAOYSA-N;p-aminomethylacetophenone ethylene ketal;4-(2-methyl-[1,3]dioxolane-2-yl)benzylamine;EN300-323183;4-(2-Methyl-[1,3]dioxolan-2-yl)-benzylamine;1-[4-(2-Methyl-1,3-dioxolan-2-yl)phenyl]methanamine

Chemical Property of Benzenemethanamine, 4-(2-methyl-1,3-dioxolan-2-yl)-

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 182

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(OCCO1)C2=CC=C(C=C2)CN

Technology Process of Benzenemethanamine, 4-(2-methyl-1,3-dioxolan-2-yl)-

There total 3 articles about Benzenemethanamine, 4-(2-methyl-1,3-dioxolan-2-yl)- 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: 96.0%

4-(2-methyl-[1,3]dioxolan-2-yl)benzonitrile (14517-91-0) → (4-(2-methyl-1,3-dioxolan-2-yl)phenyl)methanamine (66522-61-0)

Guidance literature:

With ammonia; hydrogen; nickel; In methanol; for 5h;

Reference yield:

4-cyanophenyl methyl ketone (1443-80-7) → (4-(2-methyl-1,3-dioxolan-2-yl)phenyl)methanamine (66522-61-0)

Guidance literature:

Multi-step reaction with 2 steps

1: boron trifluoride diethyl etherate / benzene / 6 h / 20 °C / Inert atmosphere; Reflux

2: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / 0 °C / Inert atmosphere; Reflux

With lithium aluminium tetrahydride; boron trifluoride diethyl etherate; In tetrahydrofuran; benzene;

DOI:10.1002/chem.201202764

Reference yield:

→ (4-(2-methyl-1,3-dioxolan-2-yl)phenyl)methanamine (66522-61-0)

Guidance literature:

Cyanoketal 9 u. LiAlH4;

DOI:10.1021/jm00204a002

upstream raw materials:

4-(2-methyl-[1,3]dioxolan-2-yl)benzonitrile

4-cyanophenyl methyl ketone

Downstream raw materials:

N-[4-(2-methyl[1,3]dioxolan-2-yl)benzyl]-N’-(1-hexylheptyl)perylene-3,4:9,10-tetracarboxylic acid bisimide

7-chloro-6-[4-(2-methyl-[1,3]dioxolan-2-yl)-benzylamino]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

N-BOC-p-aminomethylacetophenone ethylene ketal

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