2-Benzoxazolamine, 7-chloro-

Base Information

• Chemical Name: 2-Benzoxazolamine, 7-chloro-
• CAS No.: 64037-11-2
• Molecular Formula: C₇H₅ClN₂O
• Molecular Weight: 168.583
• Hs Code.: 2934999090
• NSC Number: 24973
• DSSTox Substance ID: DTXSID90214033
• Nikkaji Number: J67.892I
• Wikidata: Q83089750
• Mol file: 64037-11-2.mol

Synonyms:7-chloro-1,3-benzoxazol-2-amine;64037-11-2;2-Benzoxazolamine, 7-chloro-;2-Amino-7-chlorobenzoxazole;7-CHLOROBENZO[D]OXAZOL-2-AMINE;BENZOXAZOLE, 2-AMINO-7-CHLORO-;7-Chloro-2-benzoxazolamine;MFCD01664219;NSC24973;2-Amino-7-chloro-benzoxazole;SCHEMBL10991077;2-Amino-7-chlorobenzo[d]oxazole;DTXSID90214033;AC6529;NSC 24973;NSC-24973;STL433250;AKOS015998394;MB01974;LS-08583;LS-42129;SY130060;CS-0312684;A917621

Chemical Property of 2-Benzoxazolamine, 7-chloro-

Chemical Property:

• Vapor Pressure: 0.000401mmHg at 25°C
• Refractive Index: 1.5618 (estimate)
• Boiling Point: 316.8°Cat760mmHg
• Flash Point: 145.4°C
• PSA: 52.05000
• Density: 1.481g/cm³
• LogP: 2.64460
• XLogP3: 2
• 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:

97% ^*data from raw suppliers

7-chloro-1,3-benzoxazol-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(=C1)Cl)OC(=N2)N

Technology Process of 2-Benzoxazolamine, 7-chloro-

There total 6 articles about 2-Benzoxazolamine, 7-chloro- 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: 92.0%

2-amino-6-chlorophenol (38191-33-2) + di(1H-imidazol-1-yl)methanimine (104619-51-4) → 7-chlorobenzo[d]oxazol-2-amine (64037-11-2)

Guidance literature:

In acetonitrile; for 10h; Inert atmosphere; Reflux;

DOI:10.1016/j.bmcl.2014.05.088

Reference yield:

2-chloro-6-nitrophenol (603-86-1) → 7-chlorobenzo[d]oxazol-2-amine (64037-11-2)

Guidance literature:

Multi-step reaction with 2 steps

1: tin(II) chloride dihdyrate; hydrogenchloride / ethanol / 24 h / Inert atmosphere

2: acetonitrile / 10 h / Inert atmosphere; Reflux

With hydrogenchloride; tin(II) chloride dihdyrate; In ethanol; acetonitrile;

DOI:10.1016/j.bmcl.2014.05.088

Reference yield:

2-monochlorophenol (95-57-8) → 7-chlorobenzo[d]oxazol-2-amine (64037-11-2)

Guidance literature:

Multi-step reaction with 3 steps

1: nitric acid / acetic acid / 1.25 h / 5 °C

2: tin(II) chloride dihdyrate; hydrogenchloride / ethanol / 24 h / Inert atmosphere

3: acetonitrile / 10 h / Inert atmosphere; Reflux

With hydrogenchloride; tin(II) chloride dihdyrate; nitric acid; In ethanol; acetic acid; acetonitrile;

DOI:10.1016/j.bmcl.2014.05.088

upstream raw materials:

3-chlorosalicylaldehyde

3-chloro-2-hydroxybenzonitrile

bromocyane

2-amino-6-chlorophenol