2-(carbamoylamino)benzoic Acid

Base Information

• Chemical Name: 2-(carbamoylamino)benzoic Acid
• CAS No.: 610-68-4
• Molecular Formula: C8H8N2O3
• Molecular Weight: 180.163
• DSSTox Substance ID: DTXSID20415531
• Nikkaji Number: J134.601F
• Wikidata: Q82224463
• Mol file: 610-68-4.mol

Synonyms:2-(carbamoylamino)benzoic Acid;610-68-4;2-ureidobenzoic acid;2-[(aminocarbonyl)amino]benzoic acid;Ureido-benzoesaure;2-ureidobenzoicacid;o-ureidobenzoic acid;SCHEMBL6326283;DTXSID20415531;WIVRIZOJCNHCPS-UHFFFAOYSA-N;AKOS000130680;EN300-65852;Z239135034

Chemical Property of 2-(carbamoylamino)benzoic Acid

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 180.05349212
• Heavy Atom Count: 13
• Complexity: 217

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)C(=O)O)NC(=O)N

Technology Process of 2-(carbamoylamino)benzoic Acid

There total 6 articles about 2-(carbamoylamino)benzoic Acid 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:

potassium cyanate (590-28-3) + 4-Nitroanthranilic acid (619-17-0) → 2-ureidobenzoic acid (610-68-4)

Guidance literature:

4-Nitroanthranilic acid; With sodium hydroxide; In water;

potassium cyanate; With acetic acid; In water; for 2h;

DOI:10.3184/174751911X12964930076809

Reference yield:

trimethylsilyl isocyanate (1118-02-1) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 2-ureidobenzoic acid (610-68-4)

Guidance literature:

In tetrahydrofuran; for 6h; Heating;

Reference yield:

C9H8N2O2 → carbon monoxide (201230-82-2) + 2-ureidobenzoic acid (610-68-4)

Guidance literature:

With ethylenediaminetetraacetic acid; 1-H-3-hydroxy-4-oxoquinaldine-2,4-dioxygenase; oxygen; sodium chloride; In aq. buffer; at 20 ℃; Reagent/catalyst; Kinetics; Mechanism; Enzymatic reaction;

DOI:10.1021/jacs.5b03836

upstream raw materials:

trimethylsilyl isocyanate

anthranilic acid

potassium cyanate

water

Downstream raw materials:

2-(3-benzoylureido)benzoic acid

5-nitro-2-(N'-nitro-ureido)-benzoic acid

1,2,3,4-tetrahydro-quinazoline-2,4-dione

C₃₂H₂₈N₆O₁₀S