Ammonium 2-(aminocarbonyl)benzoate

Base Information

• Chemical Name: Ammonium 2-(aminocarbonyl)benzoate
• CAS No.: 131-63-5
• Molecular Formula: C8H7 N O3 . H3 N
• Molecular Weight: 182.179
• Hs Code.: 2924299090
• European Community (EC) Number: 205-033-6
• DSSTox Substance ID: DTXSID60156835
• Mol file: 131-63-5.mol

Synonyms:Ammonium 2-(aminocarbonyl)benzoate;131-63-5;azanium;2-carbamoylbenzoate;EINECS 205-033-6;Benzoic acid, 2-(aminocarbonyl)-, ammonium salt (1:1);Ammonium Phthalamate;C8H7NO3.H3N;DTXSID60156835;SARKQAUWTBDBIZ-UHFFFAOYSA-N;C8-H7-N-O3.H3-N;AKOS006278357;Benzoic acid, 2-(aminocarbonyl)-, monoammonium salt

Chemical Property of Ammonium 2-(aminocarbonyl)benzoate

Chemical Property:

• Vapor Pressure: 6.38E-07mmHg at 25°C
• Boiling Point: 394.2°Cat760mmHg
• Flash Point: 192.2°C
• PSA: 84.62000
• Density: g/cm³
• LogP: 1.69180
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 182.06914219
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

98%min ^*data from raw suppliers

Ammonium2-carbamoylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)N)C(=O)[O-].[NH4+]

Technology Process of Ammonium 2-(aminocarbonyl)benzoate

There total 1 articles about Ammonium 2-(aminocarbonyl)benzoate 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: 62.0%

phthalic anhydride (85-44-9) → ammonium 2-(aminocarbonyl)benzoate (131-63-5)

Guidance literature:

With ammonia; In tetrahydrofuran; at 20 ℃; for 0.25h;

DOI:10.1021/jo701391q

Reference yield: 72.0%

ammonium 2-(aminocarbonyl)benzoate (131-63-5) → 2-cyanobenzoic acid (3839-22-3)

Guidance literature:

With pyridine; acetic anhydride;

DOI:10.1021/jo701391q

Reference yield:

ammonium 2-(aminocarbonyl)benzoate (131-63-5) → methyl N-((2’-(1H-tetrazol-5-yl)-[1,1’-biphenyl]-4-yl)methyl)-N-pentanoyl-L-valinate (137863-17-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 98 percent / pyridine / CH₂Cl₂ / 2 h / 40 °C

2.1: sodium azide; tri-n-butyltin chloride; tetrabutylammonium bromide / toluene / 72 h / Heating

2.2: 55 percent / acetic acid / toluene; H₂O

With pyridine; sodium azide; tributyltin chloride; tetrabutylammomium bromide; In dichloromethane; toluene;

DOI:10.1021/jo701391q

upstream raw materials:

phthalic anhydride

Downstream raw materials:

2-cyanobenzoic acid

methyl N-((2’-(1H-tetrazol-5-yl)-[1,1’-biphenyl]-4-yl)methyl)-N-pentanoyl-L-valinate

2-(4,4-dibromomethylphenyl)benzonitrile

N-[(2'-cyanobiphenyl-4-yl)-methyl]-(L)-valine methyl ester

Refernces