N-1,3-benzoxazol-2-ylguanidine

Base Information

• Chemical Name: N-1,3-benzoxazol-2-ylguanidine
• CAS No.: 39123-82-5
• Molecular Formula: C8H8 N4 O
• Molecular Weight: 176.178
• Hs Code.: 2934999090
• European Community (EC) Number: 621-756-3
• NSC Number: 8967
• DSSTox Substance ID: DTXSID00278661
• Nikkaji Number: J340.082D
• ChEMBL ID: CHEMBL1407985
• Mol file: 39123-82-5.mol

Synonyms:N-1,3-benzoxazol-2-ylguanidine;39123-82-5;2-(1,3-benzoxazol-2-yl)guanidine;N-Benzooxazol-2-yl-guanidine;Benzoxazolylguanidine;2-Benzoxazolylguanidine;1-(1,3-benzoxazol-2-yl)guanidine;MLS000737901;N-(1,3-Benzoxazol-2-yl)guanidine;aminobenzoxazol-2-ylcarboxamidine;guanidine, 2-benzoxazolyl-;N-(2-Benzoxazolyl)guanidine;NSC8967;2-guanidinobenzoxazole;2-Guanylbenzoxazole hydrate;Cambridge id 5140724;TimTec1_003021;SCHEMBL880339;CHEMBL1407985;SCHEMBL11236137;2-Guanidinobenzoxazole (hydrate);DTXSID00278661;HMS1542J07;HMS2884O06;1-(benzo[d]oxazol-2-yl)guanidine;Guanidine (9CI), 2-benzoxazolyl-;NSC 8967;NSC-8967;MFCD00087216;STK397893;AKOS000116770;N-(1,3-Benzoxazol-2-yl)guanidine #;SDCCGMLS-0064729.P001;SMR000528080;EU-0000993;FT-0679087;EN300-03928;A918800;BRD-K52845502-001-01-1;Z56823021;F1918-0066

Chemical Property of N-1,3-benzoxazol-2-ylguanidine

Chemical Property:

• Vapor Pressure: 5.43E-06mmHg at 25°C
• Boiling Point: 380.5°Cat760mmHg
• Flash Point: 183.9°C
• PSA: 87.93000
• Density: 1.54g/cm³
• LogP: 2.00620
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 176.06981089
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

98%min ^*data from raw suppliers

N-1,3-Benzoxazol-2-ylguanidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(O2)N=C(N)N

Technology Process of N-1,3-benzoxazol-2-ylguanidine

There total 1 articles about N-1,3-benzoxazol-2-ylguanidine 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:

N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) + 2-amino-phenol (95-55-6) → 1,3-benzoxazol-2-amine (4570-41-6) + 2-guanidinobenzoxazole (39123-82-5)

Guidance literature:

With scandium tris(trifluoromethanesulfonate); In water; at 100 ℃; for 48h; Inert atmosphere;

DOI:10.1016/j.tetlet.2018.03.036

Reference yield: 96.0%

benzalacetophenone (94-41-7) + 2-(1,3-benzoxazol-2-yl)guanidine (39123-82-5) → C23H16N4S

Guidance literature:

With zinc(II) L-prolinate complex; In ethanol; water; for 3h; Reflux;

DOI:10.1002/aoc.6197

Reference yield: 90.0%

4'-chloro-4-methoxy-chalcone (6552-63-2) + 2-(1,3-benzoxazol-2-yl)guanidine (39123-82-5) → C24H17ClN4OS

Guidance literature:

With zinc(II) L-prolinate complex; In ethanol; water; for 4h; Reflux;

DOI:10.1002/aoc.6197

upstream raw materials:

N-Cyanoguanidine

2-amino-phenol

Downstream raw materials:

2-Imino-s-triazino<2,1-b>benzoxazol

2-(6-Hydroxy-4-methyl-pyrimidin-2-yl-amino)benzoxazol

2-[1,3-benzoxazol-2-ylamino]-1-methyl-1,4-dihydroquinazolin-4-one

Refernces