Wln: wnnno&yum&M1R

Base Information

• Chemical Name: Wln: wnnno&yum&M1R
• CAS No.: 5461-82-5
• Molecular Formula: C8H10N5O3+
• Molecular Weight: 223.191
• NSC Number: 25070
• DSSTox Substance ID: DTXSID90203043
• Mol file: 5461-82-5.mol

Synonyms:5461-82-5;WLN: WNNNO&YUM&M1R;DTXSID90203043;NSC25070;NSC-25070

Chemical Property of Wln: wnnno&yum&M1R

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 401.7°Cat760mmHg
• Flash Point: 196.8°C
• Density: 1.46g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 223.07053917
• Heavy Atom Count: 16
• Complexity: 282

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Wln: wnnno&yum&M1R

There total 2 articles about Wln: wnnno&yum&M1R 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:

benzylamine (100-46-9) → N-benzyl-N'-nitro-N-nitroso-guanidine (5461-82-5)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂O

2: aq. HNO₃, NaNO₂

With nitric acid; sodium nitrite; In water;

DOI:10.1021/jm50010a005

Reference yield:

N-benzyl-N'-nitro-guanidine (5415-72-5) → N-benzyl-N'-nitro-N-nitroso-guanidine (5461-82-5)

Guidance literature:

With nitric acid; sodium nitrite;

Reference yield:

N-benzyl-N'-nitro-N-nitroso-guanidine (5461-82-5) → trans-2-phenylcyclopropane-1-carboxylic acid (939-90-2)

Guidance literature:

Multi-step reaction with 3 steps

1: aqueous KOH

3: ethanolic NaOH

With potassium hydroxide; sodium hydroxide;

DOI:10.1021/ja01559a045

upstream raw materials:

N-benzyl-N'-nitro-guanidine

benzylamine

Downstream raw materials:

phenyldiazomethane

2,4-Dioxo-1,1-dimethyl-3-phenyl-1,2,3,4-tetrahydro-naphthalin

2,3-Dioxo-1,1-dimethyl-4-phenyl-1,2,3,4-tetrahydro-naphthalin

(+/-)-trans-2-phenylcyclopropanecarbonitrile