Salt acetic acid guanidinium

Base Information

• Chemical Name: Salt acetic acid guanidinium
• CAS No.: 593-87-3
• Molecular Formula: CH5N3^.C2H4O2
• Molecular Weight: 119.123
• Mol file: 593-87-3.mol

Synonyms:salt acetic acid guanidinium

Chemical Property of Salt acetic acid guanidinium

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 8.67mmHg at 25°C
• Melting Point: 226-230 °C
• Boiling Point: 132.9 °C at 760 mmHg
• Flash Point: 34.2 °C
• PSA: 113.19000
• LogP: 0.42980
• Solubility.: H2O: 0.1 g/mL, clear
• Water Solubility.: 10 g /100 mL
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 119.069476538
• Heavy Atom Count: 8
• Complexity: 44.3

Purity/Quality:

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

Guanidine acetate salt ≥99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-36/37/39-27-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)[O-].C(=[NH2+])(N)N

Technology Process of Salt acetic acid guanidinium

There total 6 articles about Salt acetic acid guanidinium 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: 95.0%

→ guanidine acetic acid (593-87-3)

Guidance literature:

Reference yield: 40.0%

3-oxo-N-(3-trifluoromethylphenyl)butanethioamide + diguanidine carbonate (593-85-1,90332-86-8,3425-08-9) → 6-methyl-4-[3-(trifluoromethyl)phenylamino]pyrimidin-2-amine (843608-14-0) + guanidine acetic acid (593-87-3) + 3-trifluoromethylaniline (98-16-8)

Guidance literature:

at 140 ℃; for 3h;

DOI:10.1134/S1070428007060188

Reference yield: 30.0%

3-oxo-N-(3-chlorophenyl)butanethioamide + diguanidine carbonate (593-85-1,90332-86-8,3425-08-9) → guanidine acetic acid (593-87-3) + 3-chloro-aniline (108-42-9) + N4-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine (7781-33-1)

Guidance literature:

at 140 ℃; for 3h;

DOI:10.1134/S1070428007060188

upstream raw materials:

diguanidine carbonate

3-oxo-N-phenylbutanethioamide

N-(4-methoxyphenyl)-3-oxobutanethioamide

3-oxo-N-p-tolyl-thiobutyramide

Downstream raw materials:

2-amino-4-methylpyrimidine-5-carboxylic acid ethyl ester

2-amino-7,8-dihydroquinazolin-5(6H)-one

4-(4-methoxyphenyl)-2-yl-pyrimidin-2-ylamine

5-acetyl-6-methyl-1-phenyluracil

Refernces

• 1、 Britsun,Borisevich,Lozinskii. "Reaction of N-aryl-3-oxobutanethioamides with bis(guanidinium) carbonate". . p. 907 - 910. Retrieved 2008/02/08.
• 2、 Kuenzi,Manneberg,Studer. "Ammonolysis of nitroarginine and nitroarginine containing peptides; some side reactions". . p. 566 - 572. Retrieved 2007/10/05.