1-(3-Methoxyphenyl)guanidine

Base Information

• Chemical Name: 1-(3-Methoxyphenyl)guanidine
• CAS No.: 57004-60-1
• Molecular Formula: C8H11N3O
• Molecular Weight: 165.195
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID10426939
• Nikkaji Number: J771.652D
• ChEMBL ID: CHEMBL43459

Synonyms:1-(3-methoxyphenyl)guanidine;57004-60-1;N-(3-Methoxy-phenyl)-guanidine;N-(3-methoxyphenyl)guanidine;2-(3-methoxyphenyl)guanidine;CHEMBL43459;1-[3-Methoxyphenyl]guanidine;MLS000731350;SMR000309625;amino(3-methoxyphenyl)carboxamidine;3-methoxylphenylguanidine;SCHEMBL1185724;BDBM96691;DTXSID10426939;cid_16194082;GHJPWSGXHWIAEQ-UHFFFAOYSA-N;MFCD04973396;STK207102;AKOS001837610;SB37714;DS-17066;AM20040737;CS-0005438;FT-0690656;EN300-237747;A831277;F2158-0386

Chemical Property of 1-(3-Methoxyphenyl)guanidine

Chemical Property:

• Vapor Pressure: 4.81E-05mmHg at 25°C
• Refractive Index: 1.571
• Boiling Point: 349.1°C at 760 mmHg
• Flash Point: 164.9°C
• PSA: 71.13000
• Density: 1.2g/cm³
• LogP: 1.87360
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 165.090211983
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

98%Min ^*data from raw suppliers

1-(3-Methoxyphenyl)guanidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)N=C(N)N

Technology Process of 1-(3-Methoxyphenyl)guanidine

There total 5 articles about 1-(3-Methoxyphenyl)guanidine 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%

CYANAMID (420-04-2) + m-Anisidine (536-90-3,918666-97-4) → 1-(3-methoxyphenyl)guanidine (57004-60-1)

Guidance literature:

With nitric acid; In ethanol; water; Reflux;

DOI:10.1002/cmdc.201300552

Reference yield:

N,N’-bis(tert-butoxycarbonyl)-N”-(3-methoxyphenyl)guanidine → 1-(3-methoxyphenyl)guanidine (57004-60-1)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 25 ℃; for 24h;

Reference yield:

C23H20N2O3S (1026732-19-3) → 1-(3-methoxyphenyl)guanidine (57004-60-1)

Guidance literature:

C₂₃H₂₀N₂O₃S; With Rink amide resin; diisopropyl-carbodiimide; In dichloromethane; for 14h;

With piperidine; In N,N-dimethyl-formamide;

With trifluoroacetic acid; In dichloromethane;

DOI:10.1081/SCC-200026206

upstream raw materials:

C₂₃H₂₀N₂O₃S

m-Anisidine

CYANAMID

Downstream raw materials:

C₂₁H₂₁N₅O₂

C₂₂H₂₂N₄O₂

C₁₇H₁₄BrN₃O

C₁₇H₁₃Cl₂N₃O

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