4-Methylbenzenecarboximidamide

Base Information

• Chemical Name: 4-Methylbenzenecarboximidamide
• CAS No.: 18465-11-7
• Molecular Formula: C8H10 N2
• Molecular Weight: 134.181
• Hs Code.: 2925290090
• UNII: KM8AA4B4L2
• DSSTox Substance ID: DTXSID00171603
• Nikkaji Number: J595.404E
• Wikidata: Q83041689
• ChEMBL ID: CHEMBL1650243
• Mol file: 18465-11-7.mol

Synonyms:4-toluamidine;4-toluamidine hydrochoride;4-toluamidine monohydrochoride;p-toluamidine

Chemical Property of 4-Methylbenzenecarboximidamide

Chemical Property:

• Vapor Pressure: 0.0884mmHg at 25°C
• Refractive Index: 1.559
• Boiling Point: 225°C at 760 mmHg
• Flash Point: 89.9°C
• PSA: 49.87000
• Density: 1.07g/cm³
• LogP: 2.07910
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 134.084398327
• Heavy Atom Count: 10
• Complexity: 123

Purity/Quality:

98%Min ^*data from raw suppliers

4-Methyl-benzamidine 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Methylbenzenecarboximidamide

There total 20 articles about 4-Methylbenzenecarboximidamide 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: 84.0%

C15H16N2O2S → 4-methylbenzamidine (18465-11-7)

Guidance literature:

With methanol; sodium hydroxide; at 80 ℃;

DOI:10.1021/jacs.8b11039

Reference yield: 80.0%

N'-methoxy-4-methylbenzimidamide (52093-58-0) → 4-methylbenzamidine (18465-11-7)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In acetic acid; for 3h; Heating;

DOI:10.1055/s-2003-42410

Reference yield: 75.0%

O-acetyl-4-methylbenzamidoxime → 4-methylbenzamidine (18465-11-7)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In acetic acid; for 3h; Heating;

DOI:10.1055/s-2003-42410

upstream raw materials:

para-methylbenzonitrile

toluene

sodium thiophenolate

3-Bromo-3-(p-methylphenyl)diazirine

Downstream raw materials:

2-methyl-4,6-di-p-tolyl-1,3,5-triazine

2-p-tolyl-1H-imidazole-4,5-dione

ethyl 4-methyl-2-(p-tolyl)pyrimidine-5-carboxylate

N-chloro-4-methyl-benzamidine

Refernces

• 1、 Liu, Binbin,Ning, Yongquan,Virelli, Matteo,Zanoni, Giuseppe,Anderson, Edward A.,Bi, Xihe. "Direct Transformation of Terminal Alkynes into Amidines by a Silver-Catalyzed Four-Component Reaction". . p. 1593 - 1598. Retrieved 2019/01/30.
• 2、 Kumpan, Katerina,Nathubhai, Amit,Zhang, Chenlu,Wood, Pauline J.,Lloyd, Matthew D.,Thompson, Andrew S.,Haikarainen, Teemu,Lehti?, Lari,Threadgill, Michael D.. "Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases". . p. 3013 - 3032. Retrieved 2015/08/03.