2,5-Dimethylbenzylamine

Base Information

• Chemical Name: 2,5-Dimethylbenzylamine
• CAS No.: 93-48-1
• Molecular Formula: C9H13N
• Molecular Weight: 135.209
• Hs Code.: 29214900
• European Community (EC) Number: 202-250-8
• UNII: 347CK3BPQ3
• DSSTox Substance ID: DTXSID0059087
• Nikkaji Number: J182.095H
• Wikidata: Q72469475
• Mol file: 93-48-1.mol

Synonyms:2,5-Dimethylbenzylamine;93-48-1;(2,5-dimethylphenyl)methanamine;Benzenemethanamine, 2,5-dimethyl-;1-(2,5-dimethylphenyl)methanamine;MFCD00039780;2,5-Dimethylbenzenemethanamine;2,5-dimethyl-benzylamine;EINECS 202-250-8;2,5-Dimethylbenzyl amine;347CK3BPQ3;2, 5-dimethylbenzylamine;2,5-dimethylbenzylamin;UNII-347CK3BPQ3;SCHEMBL111635;DTXSID0059087;BENZYLAMINE, 2,5-DIMETHYL-;BBL100157;STK500492;AKOS000164285;AM82992;FS-4435;SY010975;CS-0099734;D4522;FT-0631467;(4-Fluoro-2-methoxycarbonylphenyl)boronicacid;EN300-863879;A844610

Chemical Property of 2,5-Dimethylbenzylamine

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.0989mmHg at 25°C
• Refractive Index: 1.535-1.538
• Boiling Point: 222.9 °C at 760 mmHg
• PKA: 9.31±0.10(Predicted)
• Flash Point: 92.3 °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

2,5-Dimethylbenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,5-Dimethylbenzylamine

There total 2 articles about 2,5-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: 95.0%

2,5-dimethylbenzyl chloride (824-45-3) → 2,5-dimethylbenzylamine (93-48-1)

Guidance literature:

With copper(ll) sulfate pentahydrate; ammonium hydroxide; In PEG₁₀₀₀-DIL; methyl cyclohexane; at 60 ℃; for 3h;

DOI:10.1002/jccs.201000084

Reference yield:

2,5-dimethylbenzonitrile (13730-09-1) → 2,5-dimethylbenzylamine (93-48-1)

Guidance literature:

With ammonia; hydrogen; Raney-Urushibara-Ni; In methanol;

DOI:10.1515/bchm2.1966.343.1.52

Reference yield: 94.0%

2,5-dimethylbenzylamine (93-48-1) + 1,3-diphenyl-propen-3-one (614-47-1) → (Z)-3-((2,5-dimethylbenzyl)amino)-1,3-diphenylprop-2-en-1-one

Guidance literature:

1,3-diphenyl-propen-3-one; With sulfur; In dimethyl sulfoxide; at 20 ℃; Sealed tube;

2,5-dimethylbenzylamine; In dimethyl sulfoxide; at 40 ℃; for 12h; Sealed tube;

DOI:10.1021/acs.orglett.0c03846

upstream raw materials:

2,5-dimethylbenzonitrile

2,5-dimethylbenzyl chloride

Downstream raw materials:

(2,5-dimethyl-benzyl)-urea

3-(2,5-dimethyl-benzyl)-2-phenyl-thiazolidin-4-one

2-isothiocyanatomethyl-1,4-dimethyl-benzene

1-(2,5-dimethylbenzyl)thiourea

Refernces

• 1、 Mix,Trettin,Guelzow. "Relationships between structure and action of primary amines and amino acids in the inhibition of trypsin". . p. 52 - 60. Retrieved 2007/10/04.