3,5-Dimethylbenzylamine

Base Information

• Chemical Name: 3,5-Dimethylbenzylamine
• CAS No.: 78710-55-1
• Molecular Formula: C9H13 N
• Molecular Weight: 135.209
• Hs Code.: 2921499090
• European Community (EC) Number: 278-974-3
• DSSTox Substance ID: DTXSID00999965
• Nikkaji Number: J319.797B
• Wikidata: Q72469473
• Mol file: 78710-55-1.mol

Synonyms:3,5-Dimethylbenzylamine;78710-55-1;(3,5-dimethylphenyl)methanamine;EINECS 278-974-3;3,5-dimethylbenzylamin;(3,5-dimethyl)benzylamine;SCHEMBL43251;DTXSID00999965;DZBHNPJZCQWUCG-UHFFFAOYSA-N;1-(3,5-dimethylphenyl)methanamine;3,5-Dimethylbenzylamine, AldrichCPR;MFCD00040753;AKOS000163738;AB01824;AS-44226;CS-0280412;FT-0641689;EN300-298360;2-(45-DIHYDRO-1H-IMIDAZOL-2-YL)PHENOL;A839476

Chemical Property of 3,5-Dimethylbenzylamine

Chemical Property:

• Appearance/Colour: Colorless to yellow clear liquid
• Vapor Pressure: 0.112mmHg at 25°C
• Boiling Point: 220.7 °C at 760 mmHg
• PKA: 9.20±0.10(Predicted)
• Flash Point: 91.4 °C
• PSA: 26.02000
• Density: 0.952 g/cm³
• LogP: 2.46240
• 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: 90.9

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dimethylbenzylamine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)CN)C
• Uses: 3,5-Dimethylbenzylamine is an intermediate in the preparation of substituted pyridine and pyrimidine derivatives use in treating viral infections.

Technology Process of 3,5-Dimethylbenzylamine

There total 13 articles about 3,5-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: 98.0%

3,5-dimethylbenzamide (5692-35-3) → 3,5-dimethylbenzyl amine (78710-55-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 19h; Heating;

DOI:10.1021/jo0601563

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + N-(3,5-dimethyl-benzyl)-phthalimide (188257-48-9) → 3,5-dimethylbenzyl amine (78710-55-1) + benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5)

Guidance literature:

at 190 - 200 ℃;

Reference yield:

3,5-dimethylbenzylamine hydrochloride (3858-80-8) → 3,5-dimethylbenzyl amine (78710-55-1)

Guidance literature:

With sodium hydroxide; In ethyl acetate; Cooling with ice;

upstream raw materials:

3,5-dimethylbenzaldehyde

hydrogenchloride

N-(3,5-dimethyl-benzyl)-phthalimide

potassium phtalimide

Downstream raw materials:

C₂₂H₃₅BrO₉

C₁₈H₂₇BrO₇

2-[5-(3,5-dimethylbenzylcarbamoyl)thiophen-2-yl]-2-oxoethyl ethyl trithiocarbonate

Refernces

• 1、 Liu, Lei,Li, Jifan,Ai, Yongjian,Liu, Yuhong,Xiong, Jialiang,Wang, Hongdong,Qiao, Yijun,Liu, Wenrui,Tan, Shanchao,Feng, Shaofei,Wang, Kunpeng,Sun, Hongbin,Liang, Qionglin. "A ppm level Rh-based composite as an ecofriendly catalyst for transfer hydrogenation of nitriles: Triple guarantee of selectivity for primary amines". . p. 1390 - 1395. Retrieved 2019/03/26.
• 2、 Gryshuk, Amy,Chen, Yihui,Goswami, Lalit N.,Pandey, Suresh,Missert, Joseph R.,Ohulchanskyy, Tymish,Potter, William,Prasad, Paras N.,Oseroff, Allan,Pandey, Ravindra K.. "Structure-activity relationship among purpurinimides and bacteriopurpurinimides: Trifluoromethyl substituent enhanced the photosensitizing efficacy". . p. 1754 - 1767. Retrieved 2008/02/03.