1,2-Phenylenedimethanamine dihydrochloride

Base Information

• Chemical Name: 1,2-Phenylenedimethanamine dihydrochloride
• CAS No.: 21294-14-4
• Molecular Formula: C₈H₁₂N₂*2ClH
• Molecular Weight: 209.119
• Hs Code.: 2921590090
• European Community (EC) Number: 624-806-2
• DSSTox Substance ID: DTXSID50491287
• Mol file: 21294-14-4.mol

Synonyms:21294-14-4;1,2-Phenylenedimethanamine dihydrochloride;2-AMINOMETHYL-BENZYLAMINE DIHYDROCHLORIDE;o-Xylylenediamine dihydrochloride;C8H14Cl2N2;[2-(aminomethyl)phenyl]methanamine;dihydrochloride;[2-(aminomethyl)phenyl]methanamine dihydrochloride;1,2-Benzenedimethanamine, dihydrochloride;SCHEMBL2522138;2-Aminomethyl-benzylamine diHCl;DTXSID50491287;MFCD00182462;2-AMINOMETHYL-BENZYLAMINE 2HCL;AKOS015999895;2-Aminomethylbenzylamine dihydrochloride;DL-0714;SB35384;1,2-Phenylenedimethanaminedihydrochloride;o-Xylylenediamine dihydrochloride, >=98%;CS-0156044;FT-0707850;A857361;J-013973;(1,2-Phenylene)dimethanamine--hydrogen chloride (1/2);1-[2-(AMINOMETHYL)PHENYL]METHANAMINE DIHYDROCHLORIDE

Chemical Property of 1,2-Phenylenedimethanamine dihydrochloride

Chemical Property:

• Melting Point: 306-308 °C
• PSA: 52.04000
• LogP: 3.60860
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 208.0534038
• Heavy Atom Count: 12
• Complexity: 81.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,2-PhenylenedimethanamineDihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CN)CN.Cl.Cl

Technology Process of 1,2-Phenylenedimethanamine dihydrochloride

There total 4 articles about 1,2-Phenylenedimethanamine dihydrochloride 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: 45.0%

α,α'-dibromo-o-xylene (91-13-4) → α,α-diamino-o-xylene dihydrochloride (21294-14-4,92503-43-0)

Guidance literature:

α,α'-dibromo-o-xylene; With potassium phtalimide; hydrazine;

With hydrogenchloride;

DOI:10.1016/S0957-4166(03)00045-4

Reference yield:

1,2-benzenedimethanamine (17300-02-6) → α,α-diamino-o-xylene dihydrochloride (21294-14-4,92503-43-0)

Guidance literature:

With hydrogenchloride; water; In ethanol; at 20 ℃; for 168h;

DOI:10.1007/s13738-021-02392-9

Reference yield:

o-xylene (95-47-6) → α,α-diamino-o-xylene dihydrochloride (21294-14-4,92503-43-0)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine

2: hydrogenchloride; sodium azide; triphenylphosphine

With hydrogenchloride; sodium azide; bromine; triphenylphosphine;

DOI:10.1007/s10870-016-0646-y

upstream raw materials:

α,α'-dibromo-o-xylene

o-xylene

1,2-benzenedimethanamine

Downstream raw materials:

o-xylylenebisurea

Refernces

• 1、 Wang, Zhi-guo,Yu, Wei,Zheng, He-qi,Wang, Zhi-gang. "Synthesis and Crystal Structure of a Novel Glycoluril Molecular Scaffold". . p. 208 - 212. Retrieved 2016/05/02.