2-Amino-6-chlorobenzoxazole

Base Information

• Chemical Name: 2-Amino-6-chlorobenzoxazole
• CAS No.: 52112-68-2
• Molecular Formula: C7H5ClN2O
• Molecular Weight: 168.583
• Hs Code.: 2934999090
• NSC Number: 24991
• DSSTox Substance ID: DTXSID60200125
• Nikkaji Number: J67.891K
• Wikidata: Q83073151
• ChEMBL ID: CHEMBL1889525
• Mol file: 52112-68-2.mol

Synonyms:2-Amino-6-chlorobenzoxazole;52112-68-2;6-Chlorobenzo[d]oxazol-2-amine;6-chloro-1,3-benzoxazol-2-amine;2-Benzoxazolamine, 6-chloro-;6-Chloro-2-benzoxazolamine;BENZOXAZOLE, 2-AMINO-6-CHLORO-;NSC 24991;MLS002639031;CHEMBL1889525;MFCD01664218;NSC24991;cid_40237;SCHEMBL9896463;6-Chloro-benzooxazol-2-ylamine;2-Amino-6-chlorobenzo[d]oxazole;DTXSID60200125;Ethyl7-Bromoindole-2-Carboxylate;HMS3093D21;AMY20167;BDBM50356932;NSC-24991;STK802945;6-chloranyl-1,3-benzoxazol-2-amine;AKOS000114286;AB09701;AS-31528;LS-42128;SMR001548487;SY005591;BB 0244038;CS-0044511;FT-0655153;EN300-387848;A828931

Chemical Property of 2-Amino-6-chlorobenzoxazole

Chemical Property:

• Vapor Pressure: 0.000401mmHg at 25°C
• Melting Point: 184 °C
• Refractive Index: 1.5618 (estimate)
• Boiling Point: 316.8ºC at 760 mmHg
• PKA: 1.17±0.30(Predicted)
• Flash Point: 145.4ºC
• PSA: 52.05000
• Density: 1.481g/cm3
• LogP: 2.64460
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 168.0090405
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

6-Chlorobenzo[d]oxazol-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Cl)OC(=N2)N

Technology Process of 2-Amino-6-chlorobenzoxazole

There total 14 articles about 2-Amino-6-chlorobenzoxazole 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: 86.0%

N-cyano-N-phenyl-p-toluenesulfonamide (55305-43-6) + 2-amino-5-chlorophenol (28443-50-7) → 6-chloro-1,3-benzoxazol-2-amine (52112-68-2)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; hexane; at 5 - 20 ℃; for 1h; Green chemistry;

DOI:10.1055/s-0034-1380166

Reference yield: 86.0%

2-amino-5-chlorophenol (28443-50-7) + di(1H-imidazol-1-yl)methanimine (104619-51-4) → 6-chloro-1,3-benzoxazol-2-amine (52112-68-2)

Guidance literature:

In acetonitrile; for 8h; Inert atmosphere; Reflux;

DOI:10.1016/j.bmcl.2014.05.088

Reference yield: 83.0%

2-amino-5-chlorophenol (28443-50-7) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → 6-chloro-1,3-benzoxazol-2-amine (52112-68-2)

Guidance literature:

With boron trifluoride diethyl etherate; In 1,4-dioxane; at 80 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2018.03.036

upstream raw materials:

4-chlorosalicylaldehyde

5-chloro-2-cyanophenol

bromocyane

2-amino-5-chlorophenol