Guanidine, N-nitro-N'-(phenylmethyl)-

Base Information

• Chemical Name: Guanidine, N-nitro-N'-(phenylmethyl)-
• CAS No.: 5415-72-5
• Molecular Formula: C8H10N4O2
• Molecular Weight: 194.193
• European Community (EC) Number: 611-102-5
• NSC Number: 10386
• DSSTox Substance ID: DTXSID10202497
• Mol file: 5415-72-5.mol

Synonyms:5415-72-5;Guanidine, N-nitro-N'-(phenylmethyl)-;Guanidine, 1-benzyl-3-nitro-;NSC 10386;AI3-61657;3-benzyl-1-nitroguanidine;WLN: WNMYUM&M1R;1-benzyl-3-nitro-guanidine;SCHEMBL1817029;DTXSID10202497;NSC10386;NSC-10386;AKOS040768274

Chemical Property of Guanidine, N-nitro-N'-(phenylmethyl)-

Chemical Property:

• Boiling Point: 358.5°Cat760mmHg
• Flash Point: 170.6°C
• Density: 1.34g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 194.08037557
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN=C(N)N[N+](=O)[O-]

Technology Process of Guanidine, N-nitro-N'-(phenylmethyl)-

There total 7 articles about Guanidine, N-nitro-N'-(phenylmethyl)- 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:

2-nitroguanidine (556-88-7) + benzyl bromide (100-39-0) → 2-Nitro-1-benzyl-guanidin (5415-72-5)

Guidance literature:

2-nitroguanidine; With sodium amide; In N,N-dimethyl-formamide; at 0 ℃; for 1h;

benzyl bromide; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

Reference yield:

nitroguanidine (556-88-7) + benzylamine (100-46-9) → N-benzyl-N'-nitro-guanidine (5415-72-5)

Guidance literature:

With water; at 60 - 70 ℃;

Reference yield:

N-Methyl-N'-nitro-N-nitrosoguanidine (70-25-7) + benzylamine (100-46-9) → N-benzyl-N'-nitro-guanidine (5415-72-5)

Guidance literature:

With diethyl ether; water;

DOI:10.1021/ja01174a019

upstream raw materials:

2-nitroguanidine

benzyl bromide

benzyl chloride

nitroguanidine

Downstream raw materials:

N-benzyl-N'-nitro-N-nitroso-guanidine

3-benzyl-2-nitroamino-4-oxo-3,4-dihydro-pyrimidine-5-carboxylic acid ethyl ester

3-benzyl-2-hydrazino-5,6,7,8-tetrahydro-3H-quinazolin-4-one

3-benzyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione

Refernces

• 1、 -. "Nitroguanidine compound and preparation and application thereof". Paragraph 0033-0035; 0054-0055. . Retrieved 2020/04/02.
• 2、 Iwahara,Yanagimachi,Kamiya,Nakadate,Suzuki. "Mutagenic and prophage-inducing activities of 1-alkyl-3-nitro-1-nitrosoguanidines.". . p. 1914 - 1918. Retrieved 2007/10/12.