2,4-Dimethylbenzylamine

Base Information

• Chemical Name: 2,4-Dimethylbenzylamine
• CAS No.: 94-98-4
• Molecular Formula: C9H13N
• Molecular Weight: 135.209
• Hs Code.: 29214900
• European Community (EC) Number: 202-380-5
• UNII: TQZ4VS5TJQ
• DSSTox Substance ID: DTXSID0059114
• Nikkaji Number: J61.278B
• Wikidata: Q72469479
• Mol file: 94-98-4.mol

Synonyms:2,4-Dimethylbenzylamine;94-98-4;(2,4-Dimethylphenyl)methanamine;Benzenemethanamine, 2,4-dimethyl-;2,4-dimethylbenzenemethanamine;TQZ4VS5TJQ;EINECS 202-380-5;Benzylamine, 2,4-dimethyl-;MFCD00025575;omega-amino-psi-cumene;2,4-dimethylbenzylamin;UNII-TQZ4VS5TJQ;1-alpha-Amino-psi-cumene;2,4-Dimethyl benzylamine;SCHEMBL96044;DTXSID0059114;omega-amino-1,2,4-trimethylbenzene;(2,4-dimethyl-phenyl)-methyl-amine;2,4-dimethylbenzylamine, AldrichCPR;AKOS000128923;CS-W001690;GS-3494;SB75411;AM20041439;D4525;FT-0610175;EN300-33146;S10923;Z239626330

Chemical Property of 2,4-Dimethylbenzylamine

Chemical Property:

• Appearance/Colour: clear light yellow liquid
• Vapor Pressure: 0.125mmHg at 25°C
• Melting Point: 116°C (estimate)
• Refractive Index: 1.536-1.539
• Boiling Point: 218.499 °C at 760 mmHg
• PKA: 9.39±0.10(Predicted)
• Flash Point: 93.026 °C
• PSA: 26.02000
• Density: 0.952 g/cm³
• LogP: 2.46240
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

(2,4-Dimethylphenyl)methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 34-41-37/38
• Safety Statements: 45-36/37/39-25-39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)CN)C

Technology Process of 2,4-Dimethylbenzylamine

There total 7 articles about 2,4-Dimethylbenzylamine 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: 100.0%

2,4-dimethylbenzonitrile (21789-36-6) → 2,4-dimethylbenzylamine (94-98-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; at 0 - 20 ℃; for 3h;

Reference yield: 28.0%

N-(2,4-dimethyl-benzyl)-phthalimide (874014-36-5) → 2,4-dimethylbenzylamine (94-98-4)

Guidance literature:

With hydrazine; In ethanol; at 80 ℃; for 1h;

Reference yield:

→ bis-(2,4-dimethyl-benzyl)-amine + 2,4-dimethylbenzylamine (94-98-4)

Guidance literature:

With ethanol; acetic acid; zinc;

DOI:10.1021/ja02012a012

upstream raw materials:

2,4-dimethylbenzonitrile

N-(2,4-dimethyl-benzyl)-phthalimide

ethanol

Downstream raw materials:

3-indole

5-chloro-2-(2,4-dimethylbenzyl)-4H-isoquinoline-1,3-dione

4-amino-5-cyano-N-(2,4-dimethylbenzyl)-6-ethoxypyridine-2-carboxamide

2,4-(CH₃)2C₆H₃CH₂N(H)SO₂CF₃

Refernces

• 1、 -. "Comestible compositions comprising high potency savory flavorants, and processes for producing them". Page/Page column 70. . Retrieved 2012/04/10.
• 2、 -. "Novel flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof". Page/Page column 80. . Retrieved 2008/06/13.