3,4-Dimethylbenzylamine

Base Information

• Chemical Name: 3,4-Dimethylbenzylamine
• CAS No.: 102-48-7
• Molecular Formula: C9H13N
• Molecular Weight: 135.209
• Hs Code.: 2921499090
• European Community (EC) Number: 203-034-6
• DSSTox Substance ID: DTXSID4059253
• Nikkaji Number: J182.157A
• Wikidata: Q72469471
• Mol file: 102-48-7.mol

Synonyms:3,4-Dimethylbenzylamine;102-48-7;(3,4-Dimethylphenyl)methanamine;Benzenemethanamine, 3,4-dimethyl-;Benzylamine, 3,4-dimethyl-;3,4-dimethylbenzyl amine;1-(3,4-dimethylphenyl)methanamine;EINECS 203-034-6;MFCD00025577;3,4-dimethylbenzylamin;3, 4-dimethylbenzylamine;3,4-dimethyl benzylamine;3,4-dimethyl-benzylamine;SCHEMBL39710;3,4-Dimethylbenzenemethanamine;DTXSID4059253;((3,4-Dimethylphenyl)methyl)amine;(3,4-Dimethylphenyl)methanamine #;BCP18640;3,4-Dimethylbenzylamine, AldrichCPR;BBL037742;STK503366;AKOS000163797;AC-25949;AS-15743;SY002791;AM20020095;D4497;FT-0631549;A19827;EN300-1236675

Chemical Property of 3,4-Dimethylbenzylamine

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0.0811mmHg at 25°C
• Refractive Index: 1.537
• Boiling Point: 226.6 °C at 760 mmHg
• PKA: 9.28±0.10(Predicted)
• Flash Point: 93.9 °C
• PSA: 26.02000
• Density: 0.9524 g/cm³
• LogP: 2.46240
• Storage Temp.: 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

3,4-Dimethylbenzylamine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

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

Technology Process of 3,4-Dimethylbenzylamine

There total 3 articles about 3,4-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:

3,4-dimethylbenzonitrile (22884-95-3) → 3,4-Dimethylbenzylamin (102-48-7)

Guidance literature:

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

DOI:10.1515/bchm2.1966.343.1.52

Reference yield:

C23H24N2 + benzylamine (100-46-9) → 3,4-Dimethylbenzylamin (102-48-7) + C21H20N2

Guidance literature:

In dimethylsulfoxide-d6; Equilibrium constant;

DOI:10.1002/chem.201606040

Reference yield:

→ 3,4-Dimethylbenzylamin (102-48-7)

Guidance literature:

3,4-Dimethylbenzonitril, H2/Raney-Ni, aq.THF, H2SO4;

DOI:10.1002/cber.19691020836

upstream raw materials:

3,4-dimethylbenzonitrile

benzylamine

Downstream raw materials:

(3,4-Dimethyl-benzyl)-harnstoff

N-<3,4-Dimethyl-benzyl>-glycin

[4-(5-Amino-1H-[1,2,4]triazol-3-yl)-pyridin-2-yl]-(3,4-dimethyl-benzyl)-amine

2-(3,4-dimethyl-benzyl)-3-ethyl-1,4-dioxo-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid ethyl ester

Refernces

• 1、 Tinapp. "Hydrogenation of aromatic nitriles with Rancy nickel in the presence of strong acids". . p. 2770 - 2776. Retrieved 2007/10/05.